Thiocyanic Acid (2-benzothiazolylthio)methyl Ester
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-9c47-0050c2490048
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 5 catalogue altLabel value(s): 'BN 30' (grade code), 'Bulab 6009' (trade name), 'Busan 1030' (trade name), 'Busan 1118' (trade name), 'Tolcide 2230' (trade name) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=thiocyanicacid(2-benzothiazolylthio)methylester||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'21564-17-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b4053f2cdb0e7bd5: {'21564-17-0': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['21564-17-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[30692]; selected_pubchem_cids=[30692]; 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 |
|---|---|---|---|---|---|
| 21,666 | bootstrap_labels | prefLabel | — | [{"@value":"thiocyanic acid (2-benzothiazolylthio)methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Bootstrapped prefLabel from legacy name field |
| 21,667 | bootstrap_labels | name | thiocyanic acid (2-benzothiazolylthio)methyl ester | — | Purged legacy name field to enforce prefLabel usage |
| 21,668 | bootstrap_labels | synonyms | ["(1,3-benzothiazol-2-ylthio)methyl thiocyanate","(2-Benzothiazolylthio)methyl thiocyanate","(Benzothiazol-2-ylthio)met… | [] | Removed legacy synonyms field in favor of structured labels |
| 95,274 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 95,275 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 220,278 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,987 | normalize_name_case | prefLabel | [{"@value":"thiocyanic acid (2-benzothiazolylthio)methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"boots… | [{"@value":"Thiocyanic Acid (2-benzothiazolylthio)methyl Ester","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,935 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2S3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,936 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,937 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.910J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['21564-17-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[30692]; selected_pubchem_cids=[30692]; 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 |
| 254,018 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2S3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2S3"]… | rdkit_pre_consensus from 'C1=CC=C2C(=C1)N=C(S2)SCSC#N'; added: molecular_mass, monoisotopic_mass |
| 272,578 | consensus_match | altLabel | [] | [{"@value":"(2-Benzothiazolylthio)methyl thiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=thiocyanicacid(2-benzothiazolylthio)methylester||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=21564-17-0; added Common Chemistry CAS names as altLabel: (2-Benzothiazolylthio)methyl thiocyanate, 2-(Thiocyanatomethylthio)-1,3-benzothiazole, 2-(Thiocyanatomethylthio)benzo[<em>d</em>]thiazole, 2-(Thiocyanomethylthio)benzothiazole, 2-(Thiocyanomethylthio)benzthiazole, 2-[(Thiocyanatomethyl)thio]benzothiazole, Acticide WB 300, Afrotin CRO, Alentisan, Argent, Argent 30, Ascend, Ascend (fufungicide), BN 30, Benthiazole, Bulab 6009, Busan 1030, Busan 1118, Busan 15, Busan 30, Busan 30-1, Busan 30A, Busan 30I, Busan 30L, Busan 30WB, Busan 30WBA, Busan 70, Busan 71, Busan 72, Busan 72A, Busan 80, Delsan 30, Fungicide FDE, Guzafan, Ichiban, KVK 733059, Nu-flow T, Nusan, Sancelant TMB, Superdavloxan, TCMTB, Thiocyanic acid, (2-benzothiazolylthio)methyl ester, Tolcide 2230; object_uuid=fo-b4053f2cdb0e7bd5 |
| 272,579 | consensus_match | cas_match_labels | — | {"21564-17-0":"exactMatch"} | group_key=thiocyanicacid(2-benzothiazolylthio)methylester||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'21564-17-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b4053f2cdb0e7bd5: {'21564-17-0': 'exactMatch'} |
| 279,215 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2S3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2S3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Thiocyanic Acid (2-benzothiazolylthio)methyl Ester' |
| 286,073 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2S3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2S3"]… | rdkit_post_consensus from 'N#CSCSc1nc2ccccc2s1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,501 | strip_catalogue_altlabels | altLabel | [{"@value":"(2-Benzothiazolylthio)methyl thiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"(2-Benzothiazolylthio)methyl thiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Removed 5 catalogue altLabel value(s): 'BN 30' (grade code), 'Bulab 6009' (trade name), 'Busan 1030' (trade name), 'Busan 1118' (trade name), 'Tolcide 2230' (trade name) |
| 328,635 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 393,602 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2S3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H6N2S3"]… | typed the way the ontology types it |
| 402,683 | 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/20260821T1554374006150000/21666 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/21667 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/21668 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/95274 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/95275 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/220278 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/225987 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/246935 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/246936 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/246937 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/254018 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/272578 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/272579 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/279215 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/286073 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/291501 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/328635 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/393602 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/402683 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-9c47-0050c2490048/v19 |