2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole
Everything that changed this flow. Back to the flow
7699fd86-92cd-415e-b330-4a793a0dbfc6
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'MBS 80' (grade code), 'NSC 70078' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'102-77-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fba0cd35771c5ba: {'102-77-2': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 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=['102-77-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[7619, 87535491]; selected_pubchem_cids=[7619]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,738 | bootstrap_labels | prefLabel | — | [{"@value":"2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 12,739 | bootstrap_labels | name | 2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole | — | Purged legacy name field to enforce prefLabel usage |
| 12,740 | bootstrap_labels | synonyms | ["organic","2-(morpholinothio)benzothiazole","2-benzothiazolyl-n-morpholinosulfid","2-benzothiazolylsulfenylmorpholin",… | [] | Removed legacy synonyms field in favor of structured labels |
| 120,404 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 120,405 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 217,553 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 239,278 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H12N2OS… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,279 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,280 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.600E","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['102-77-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[7619, 87535491]; selected_pubchem_cids=[7619]; 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 |
| 251,796 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H12N2OS… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H12N2OS… | rdkit_pre_consensus from 'C1COCCN1SC2=NC3=CC=CC=C3S2'; added: molecular_mass, monoisotopic_mass |
| 260,362 | consensus_match | altLabel | [] | [{"@value":"2-(4-Morpholinothio)benzothiazole","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | group_key=2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole||dimension=Environmental > media=Water > water_body=Surface water; cas=102-77-2; added Common Chemistry CAS names as altLabel: 2-(4-Morpholinothio)benzothiazole, 2-(4-Morpholinylmercapto)benzothiazole, 2-(4-Morpholinylthio)benzothiazole, 2-(Morpholinothio)benzothiazole, 2-Benzothiazolesulfenemorpholide, 2-Benzothiazolesulfenic acid morpholide, 2-Benzothiazolyl <em>N</em>-morpholino sulfide, 2-Benzothiazolylsulfenylmorpholine, 4-(2-Benzothiazolylthio)morpholine, <em>N</em>,<em>N</em>-(Oxydiethylene)benzothiazole-2-sulfenamide, <em>N</em>-(Oxidiethylene)-2-benzothiazolyl sulfenamide, <em>N</em>-Morpholino-2-benzothiazolylsulfenamide, <em>N</em>-Oxydiethyl-2-benzothiazolesulfenamide, <em>N</em>-Oxydiethylene benzothiazole sulfenamide, <em>N</em>-Oxydiethylene-2-benzothiazolylsulfenamide, Accel NS, Accelerator NS, Amax, Benzothiazole, 2-(4-morpholinylthio)-, Benzothiazole, 2-(morpholinothio)-, Cure-rite OBTS, Delac MOR, MBS, MBS 80, Meramid M, Morpholine, 4-(2-benzothiazolylthio)-, Morpholinyl mercaptobenzothiazole, NOBS, NOBS Special, NS, NSC 70078, Nocceler MSA, Nocceler MSA-G, OBTS, Pilcure MOR, Rhenogran MBS 80, SA-M, Sanceler NOB, Santocure MBS, Santocure MOR, Soxinol NBS, Sulfenamide M, Sulfenax MOR, Vulcafor BSM, Vulcafor MBS, Vulkacit MOZ, Vulkacit MOZ/LG; object_uuid=fo-6fba0cd35771c5ba |
| 260,363 | consensus_match | cas_match_labels | — | {"102-77-2":"exactMatch"} | group_key=2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'102-77-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fba0cd35771c5ba: {'102-77-2': 'exactMatch'} |
| 276,982 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H12N2OS… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H12N2OS… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole' |
| 283,634 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H12N2OS… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H12N2OS… | rdkit_post_consensus from 'c1ccc2sc(SN3CCOCC3)nc2c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,880 | strip_catalogue_altlabels | altLabel | [{"@value":"2-(4-Morpholinothio)benzothiazole","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | [{"@value":"2-(4-Morpholinothio)benzothiazole","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | Removed 2 catalogue altLabel value(s): 'MBS 80' (grade code), 'NSC 70078' (registry code) |
| 341,198 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7699fd86-92cd-… | associations resolved on the elementary layer |
| 391,337 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H12N2OS… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H12N2OS… | typed the way the ontology types it |
| 399,323 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1122181958110000/12738 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v0 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v1 |
| ef:activity/change/20260821T1122181958110000/12739 | name | ef:agent/bootstrap_labels | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v1 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v2 |
| ef:activity/change/20260821T1122181958110000/12740 | synonyms | ef:agent/bootstrap_labels | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v2 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v3 |
| ef:activity/change/20260821T1122181958110000/120404 | context | ef:agent/default_context_mapping | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v3 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v4 |
| ef:activity/change/20260821T1122181958110000/120405 | context_iri | ef:agent/default_context_mapping | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v4 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v5 |
| ef:activity/change/20260821T1122181958110000/217553 | unit_iri | ef:agent/unit_normalization | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v5 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v6 |
| ef:activity/change/20260821T1122181958110000/239278 | properties | ef:agent/enrich_references | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v6 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v7 |
| ef:activity/change/20260821T1122181958110000/239279 | skos_definition | ef:agent/enrich_references | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v7 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v8 |
| ef:activity/change/20260821T1122181958110000/239280 | references | ef:agent/enrich_references | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v8 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v9 |
| ef:activity/change/20260821T1122181958110000/251796 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v9 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v10 |
| ef:activity/change/20260821T1122181958110000/260362 | altLabel | ef:agent/consensus_match | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v10 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v11 |
| ef:activity/change/20260821T1122181958110000/260363 | cas_match_labels | ef:agent/consensus_match | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v11 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v12 |
| ef:activity/change/20260821T1122181958110000/276982 | properties | ef:agent/opsin_iupac | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v12 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v13 |
| ef:activity/change/20260821T1122181958110000/283634 | properties | ef:agent/rdkit_post_consensus | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v13 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v14 |
| ef:activity/change/20260821T1122181958110000/289880 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v14 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v15 |
| ef:activity/change/20260821T1122181958110000/341198 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v15 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v16 |
| ef:activity/change/20260821T1122181958110000/391337 | properties | ef:agent/normalise_property_values | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v16 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v17 |
| ef:activity/change/20260821T1122181958110000/399323 | types | ef:agent/link_flows_to_their_substance | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v17 | ef:flow/7699fd86-92cd-415e-b330-4a793a0dbfc6/v18 |