N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine
Everything that changed this flow. Back to the flow
aa313ffc-6893-4bdf-8bea-51535f1fb34f
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 4 catalogue altLabel value(s): 'NS 80' (grade code), 'NS 80 (vulcanization accelerator)' (grade code), 'NSC 84176' (registry code), 'TBBS 80' (grade code) |
| 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=n-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'95-31-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-92fc9d368f51ef38: {'95-31-8': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['95-31-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[7230, 220834, 611513, 42553410]; selected_pubchem_cids=[7230]; 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 |
|---|---|---|---|---|---|
| 13,284 | bootstrap_labels | prefLabel | — | [{"@value":"n-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine","@language":"en","source":{"prov:wasGeneratedBy":… | Bootstrapped prefLabel from legacy name field |
| 13,285 | bootstrap_labels | name | n-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine | — | Purged legacy name field to enforce prefLabel usage |
| 13,286 | bootstrap_labels | synonyms | ["organic","n-tert-butylbenzothiazole-2-sulphenamide","2-benzothiazolesulfenamide,n-(1,1-dimethylethyl)-","benzothiazol… | [] | Removed legacy synonyms field in favor of structured labels |
| 151,008 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 151,009 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 217,730 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,173 | normalize_name_case | prefLabel | [{"@value":"n-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine","@language":"en","source":{"prov:wasGeneratedBy":… | [{"@value":"N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine","@language":"en","source":{"prov:wasGeneratedBy":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,776 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14N2S2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,777 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,778 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.264D","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['95-31-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[7230, 220834, 611513, 42553410]; selected_pubchem_cids=[7230]; 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 |
| 251,938 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14N2S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14N2S2… | rdkit_pre_consensus from 'CC(C)(C)NSC1=NC2=CC=CC=C2S1'; added: molecular_mass, monoisotopic_mass |
| 269,265 | consensus_match | altLabel | [] | [{"@value":"2-(<em>tert</em>-Butylaminothio)benzothiazole","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | group_key=n-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine||dimension=Environmental > media=Water > water_body=Surface water; cas=95-31-8; added Common Chemistry CAS names as altLabel: 2-(<em>tert</em>-Butylaminothio)benzothiazole, 2-Benzothiazolesulfenamide, <em>N</em>-(1,1-dimethylethyl)-, 2-Benzothiazolesulfenamide, <em>N</em>-<em>tert</em>-butyl-, 2-[[(1,1-Dimethylethyl)amino]thio]benzothiazole, <em>N</em>-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide, <em>N</em>-<em>tert</em>-Butyl-2-benzothiazolesulfenamide, <em>N</em>-<em>tert</em>-Butyl-2-benzothiazolylsulfenamide, <em>N</em>-<em>tert</em>-Butyl-2-benzothiazolylsulphenamide, <em>N</em>-<em>tert</em>-Butylbenzothiazolesulfenamide, <em>n</em>-<em>tert</em>-Butyl-2-benzothaiazole sulfonamide, Accel BNS, Antioxidant NS, BBTS, Benzothiazolyl-2-<em>tert</em>-butylsulfenamide, Cure NS, Delac NS, Luvomaxx TBBS, NS, NS 80, NS 80 (vulcanization accelerator), NS-F, NS-P, NSC 84176, NSG, NSG (heterocycle), Nocceler NS, Nocceler NS-F, Nocceler NS-G, Nocceler NS-P, Perkacit TBBS, Rhenogran TBBS 80, Rubenamid T/Gr, SA-TB, Sanceler NS, Sanceler NS-F, Sanceler NS-G, Sanceler NS-P, Santocure BBTS, Santocure NS, Santocure TBBS, Soxinol NS, Sulfenamide T, Sulfenamide TBBS, TBBS, TBBS 80, Vanax NS Rodform, Vulkacit NZ, Vulkacit NZ/C, Vulkacit NZ/EG-C; object_uuid=fo-92fc9d368f51ef38 |
| 269,266 | consensus_match | cas_match_labels | — | {"95-31-8":"exactMatch"} | group_key=n-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'95-31-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-92fc9d368f51ef38: {'95-31-8': 'exactMatch'} |
| 277,134 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14N2S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14N2S2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine' |
| 283,794 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14N2S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14N2S2… | rdkit_post_consensus from 'CC(C)(C)NSc1nc2ccccc2s1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,986 | strip_catalogue_altlabels | altLabel | [{"@value":"2-(<em>tert</em>-Butylaminothio)benzothiazole","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | [{"@value":"2-(tert-Butylaminothio)benzothiazole","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | Removed 4 catalogue altLabel value(s): 'NS 80' (grade code), 'NS 80 (vulcanization accelerator)' (grade code), 'NSC 84176' (registry code), 'TBBS 80' (grade code) |
| 356,526 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/aa313ffc-6893-… | associations resolved on the elementary layer |
| 391,483 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14N2S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H14N2S2… | typed the way the ontology types it |
| 399,537 | 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/20260822T0600486828500000/13284 | prefLabel | ef:agent/bootstrap_labels | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v0 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v1 |
| ef:activity/change/20260822T0600486828500000/13285 | name | ef:agent/bootstrap_labels | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v1 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v2 |
| ef:activity/change/20260822T0600486828500000/13286 | synonyms | ef:agent/bootstrap_labels | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v2 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v3 |
| ef:activity/change/20260822T0600486828500000/151008 | context | ef:agent/default_context_mapping | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v3 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v4 |
| ef:activity/change/20260822T0600486828500000/151009 | context_iri | ef:agent/default_context_mapping | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v4 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v5 |
| ef:activity/change/20260822T0600486828500000/217730 | unit_iri | ef:agent/unit_normalization | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v5 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v6 |
| ef:activity/change/20260822T0600486828500000/224173 | prefLabel | ef:agent/normalize_name_case | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v6 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v7 |
| ef:activity/change/20260822T0600486828500000/239776 | properties | ef:agent/enrich_references | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v7 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v8 |
| ef:activity/change/20260822T0600486828500000/239777 | skos_definition | ef:agent/enrich_references | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v8 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v9 |
| ef:activity/change/20260822T0600486828500000/239778 | references | ef:agent/enrich_references | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v9 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v10 |
| ef:activity/change/20260822T0600486828500000/251938 | properties | ef:agent/rdkit_pre_consensus | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v10 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v11 |
| ef:activity/change/20260822T0600486828500000/269265 | altLabel | ef:agent/consensus_match | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v11 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v12 |
| ef:activity/change/20260822T0600486828500000/269266 | cas_match_labels | ef:agent/consensus_match | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v12 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v13 |
| ef:activity/change/20260822T0600486828500000/277134 | properties | ef:agent/opsin_iupac | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v13 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v14 |
| ef:activity/change/20260822T0600486828500000/283794 | properties | ef:agent/rdkit_post_consensus | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v14 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v15 |
| ef:activity/change/20260822T0600486828500000/289986 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v15 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v16 |
| ef:activity/change/20260822T0600486828500000/356526 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v16 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v17 |
| ef:activity/change/20260822T0600486828500000/391483 | properties | ef:agent/normalise_property_values | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v17 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v18 |
| ef:activity/change/20260822T0600486828500000/399537 | types | ef:agent/link_flows_to_their_substance | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v18 | ef:flow/aa313ffc-6893-4bdf-8bea-51535f1fb34f/v19 |