2-mercaptobenzothiazole
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-8fc9-0050c2490048
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 9 catalogue altLabel value(s): 'Aero 407' (grade code), 'Aero Promoter 412' (trade name), 'DT 402' (grade code), 'M 2' (grade code), 'M 2 (rust inhibitor)' (grade code), 'MBT 80' (grade code), 'MBT-2' (grade code), 'NSC 2041' (registry code), 'RU 3' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=2-mercaptobenzothiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'149-30-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a736b9791ede294: {'149-30-4': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['149-30-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34292']; candidate_pubchem_cids=[640981, 697993, 21831736]; selected_pubchem_cids=[697993]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,482 | bootstrap_labels | prefLabel | — | [{"@value":"2-mercaptobenzothiazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 3,483 | bootstrap_labels | name | 2-mercaptobenzothiazole | — | Purged legacy name field to enforce prefLabel usage |
| 3,484 | bootstrap_labels | synonyms | ["1,3-Benzothiazol-2-yl hydrosulfide","1,3-Benzothiazole-2-thiol","2(3H)-Benzothiazolethione","2(3H)-Benzothiazolethion… | [] | Removed legacy synonyms field in favor of structured labels |
| 31,918 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 31,919 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 214,501 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 230,537 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NS2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,538 | enrich_references | skos_definition | — | [{"@value":"1,3-Benzothiazole substituted at the 2-position with a sulfanyl group.","@language":"en","provenance":{"pro… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,539 | enrich_references | references | [] | [{"@id":"beilstein:508810","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['149-30-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34292']; candidate_pubchem_cids=[640981, 697993, 21831736]; selected_pubchem_cids=[697993]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 249,290 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NS2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NS2"],… | rdkit_pre_consensus from 'C1=CC=C2C(=C1)NC(=S)S2'; added: monoisotopic_mass |
| 254,805 | chebi_altlabels | altLabel | [] | [{"@value":"1,3-Benzothiazol-2-yl hydrosulfide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,981 | consensus_match | altLabel | [{"@value":"1,3-Benzothiazol-2-yl hydrosulfide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | [{"@value":"1,3-Benzothiazol-2-yl hydrosulfide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | group_key=2-mercaptobenzothiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=149-30-4; added Common Chemistry CAS names as altLabel: 1,3-Benzothiazole-2-thione, 2(3<em>H</em>)-Benzothiazolethione, 2,3-Dihydro-1,3-benzothiazole-2-thione, 2,3-Dihydrobenzothiazole-2-thione, 2-Benzothiazolinethione, 2-Benzothiazolyl mercaptan, 2-Mercapto-1<em>H</em>-benzothiazole, 2-Mercaptobenzo[<em>d</em>]thiazole, 2-Mercaptobenzthiazole, 2-Sulfanylbenzothiazole, Accel M, Accelerant M, Accelerator M, Aero 407, Aero Promoter 412, Altermix MBT 80GE, Benz-1,3-thiazolidine-2-thione, Benzo[<em>d</em>]thiazole-2-thiol, Captax MBT, DT 402, Dermacid, Ekagom G, Kaptaks, Kaptax, Luvomaxx MBT, M 2, M 2 (rust inhibitor), MBT (vulcanization accelerator), MBT 80, MBT 80GE, MBT-2, Mebetizol, Mebetizole, Mebithizol, Mercaptobenzthiazole, Mertax, NB, NSC 2041, Nocceler M, Nocceler M-P, Nonflex NB, Nuodeb 84, OCID, Oricel M, Perkacit MBT, Pneumax MBT, RU 3, Rhenocure Mercapto C, Rhenogran MBT, Rhenogran MBT 80, Rotax, Royal MBT, Rubator MBT, Sanceler M, Sanceler M-G, Soxinol M, Sunsine MBT, Thiotax, Vulkacit M, Vulkacit Mercapto, Vulkacit Mercapto MG/C, Vulkacit Mercapto/C, Vulkacit Mercapto/MG, Vulkafil ZN 94TT01, Wobezit M, accelerator MBT; object_uuid=fo-6a736b9791ede294 |
| 260,982 | consensus_match | cas_match_labels | — | {"149-30-4":"exactMatch"} | group_key=2-mercaptobenzothiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'149-30-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a736b9791ede294: {'149-30-4': 'exactMatch'} |
| 274,412 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NS2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NS2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-mercaptobenzothiazole' |
| 280,843 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NS2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NS2"],… | rdkit_post_consensus from 'Sc1nc2ccccc2s1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,957 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Benzothiazol-2-yl hydrosulfide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | [{"@value":"1,3-Benzothiazol-2-yl hydrosulfide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | Removed 9 catalogue altLabel value(s): 'Aero 407' (grade code), 'Aero Promoter 412' (trade name), 'DT 402' (grade code), 'M 2' (grade code), 'M 2 (rust inhibitor)' (grade code), 'MBT 80' (grade code), 'MBT-2' (grade code), 'NSC 2041' (registry code), 'RU 3' (grade code) |
| 296,991 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 388,699 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NS2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NS2"],… | typed the way the ontology types it |
| 395,539 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T0609040591070000/3482 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v1 |
| ef:activity/change/20260821T0609040591070000/3483 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v2 |
| ef:activity/change/20260821T0609040591070000/3484 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v3 |
| ef:activity/change/20260821T0609040591070000/31918 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v4 |
| ef:activity/change/20260821T0609040591070000/31919 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v5 |
| ef:activity/change/20260821T0609040591070000/214501 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v6 |
| ef:activity/change/20260821T0609040591070000/230537 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v7 |
| ef:activity/change/20260821T0609040591070000/230538 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v8 |
| ef:activity/change/20260821T0609040591070000/230539 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v9 |
| ef:activity/change/20260821T0609040591070000/249290 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v10 |
| ef:activity/change/20260821T0609040591070000/254805 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v11 |
| ef:activity/change/20260821T0609040591070000/260981 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v12 |
| ef:activity/change/20260821T0609040591070000/260982 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v13 |
| ef:activity/change/20260821T0609040591070000/274412 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v14 |
| ef:activity/change/20260821T0609040591070000/280843 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v15 |
| ef:activity/change/20260821T0609040591070000/287957 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v16 |
| ef:activity/change/20260821T0609040591070000/296991 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v17 |
| ef:activity/change/20260821T0609040591070000/388699 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v18 |
| ef:activity/change/20260821T0609040591070000/395539 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-8fc9-0050c2490048/v19 |