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Benzo[b]thiophene 1,1-dioxide

UUID f0e8a24b-b62b-4dc8-b896-f18f940aa755
Deprecated yes
Replaced By c017bb3c-ccc3-446c-9c76-ba3f96f8a21a
Flow Object IDfo-f80021592590ea69
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 825-44-5
EC Numbers 212-544-8
prefLabel
Language Value Provenance
en Benzo[b]thiophene 1,1-dioxide
altLabel ⓘ
Language Value Provenance
en 1-Benzothiophene 1,1-dioxide
en 1<em>H</em>-1λ6-Benzo[<em>b</em>]thiophene-1,1-dione
en Benzo[<em>b</em>]thiophene <em>S</em>,<em>S</em>-dioxide
en Benzo[<em>b</em>]thiophene, 1,1-dioxide
en Benzothiophene 1,1-dioxide
en Benzothiophene <em>S</em>,<em>S</em>-dioxide
en Benzothiophene sulfone
en NSC 82162
en Thianaphthene 1,1-dioxide
en Thionaphthene 1,1-dioxide
References
Shared Properties
Predicate Value
InChIKey FRJNKYGTHPUSJR-UHFFFAOYSA-N, UMSMQBDWLGSKCP-UHFFFAOYSA-N, ZHHGTDYVCLDHHV-UHFFFAOYSA-J
InChI InChI=1S/Au.4HI.K/h;4*1H;/q+3;;;;;+1/p-4, InChI=1S/C10H10ClNO3/c1-15-10(14)7-2-4-8(5-3-7)12-9(13)6-11/h2-5H,6H2,1H3,(H,12,13), InChI=1S/C8H6O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-6H
IUPAC name 1-benzothiophene 1,1-dioxide, 4-[(2-chloro-1-oxoethyl)amino]benzoic acid methyl ester, 4-[(2-chloroacetyl)amino]benzoic acid methyl ester, benzothiophene 1,1-dioxide, methyl 4-(2-chloranylethanoylamino)benzoate, methyl 4-[(2-chloroacetyl)amino]benzoate, potassium;gold(3+);tetraiodide
Molecular formula AuI4K, C10H10ClNO3, C8H6O2S
SMILES C1=CC=C2C(=C1)C=CS2(=O)=O, COC(=O)C1=CC=C(C=C1)NC(=O)CCl, [K+].[I-].[I-].[I-].[I-].[Au+3]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f0e8a24b-b62b-4dc8-b896-f18f940aa755 benzo[b]thiophene 1,1-dioxide

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=benzo[b]thiophene1,1-dioxide||dimension=Environmental > media=Air > indoor=Unknown; cas=825-44-5; added Common Chemistry CAS names as altLabel: 1-Benzothiophene 1,1-dioxide, 1<em>H</em>-1λ6-Benzo[<em>b</em>]thiophene-1,1-dione, Benzo[<em>b</em>]thiophene <em>S</em>,<em>S</em>-dioxide, Benzo[<em>b</em>]thiophene, 1,1-dioxide, Benzothiophene 1,1-dioxide, Benzothiophene <em>S</em>,<em>S</em>-dioxide, Benzothiophene sulfone, NSC 82162, Thianaphthene 1,1-dioxide, Thionaphthene 1,1-dioxide; object_uuid=fo-f80021592590ea69
cas_match_labels 1 — consensus_match group_key=benzo[b]thiophene1,1-dioxide||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'825-44-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f80021592590ea69: {'825-44-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1-Benzothiophene 1,1-dioxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:825-44-5', 'https://commonchemistry.cas.org/detail?cas_rn=825-44-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>H</em>-1λ6-Benzo[<em>b</em>]thiophene-1,1-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:825-44-5', 'https://commonchemistry.cas.org/detail?cas_rn=825-44-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzo[<em>b</em>]thiophene <em>S</em>,<em>S</em>-dioxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:825-44-5', 'https://commonchemistry.cas.org/detail?cas_rn=825-44-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzo[<em>b</em>]thiophene, 1,1-dioxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:825-44-5', 'https://commonchemistry.cas.org/detail?cas_rn=825-44-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzothiophene 1,1-dioxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:825-44-5', 'https://commonchemistry.cas.org/detail?cas_rn=825-44-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzothiophene <em>S</em>,<em>S</em>-dioxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:825-44-5', 'https://commonchemistry.cas.org/detail?cas_rn=825-44-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzothiophene sulfone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:825-44-5', 'https://commonchemistry.cas.org/detail?cas_rn=825-44-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 82162', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:825-44-5', 'https://commonchemistry.cas.org/detail?cas_rn=825-44-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thianaphthene 1,1-dioxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:825-44-5', 'https://commonchemistry.cas.org/detail?cas_rn=825-44-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thionaphthene 1,1-dioxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:825-44-5', 'https://commonchemistry.cas.org/detail?cas_rn=825-44-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=benzo[b]thiophene1,1-dioxide||dimension=Environmental > media=Air > indoor=Unknown; cas=825-44-5; added Common Chemistry CAS names as altLabel: 1-Benzothiophene 1,1-dioxide, 1<em>H</em>-1λ6-Benzo[<em>b</em>]thiophene-1,1-dione, Benzo[<em>b</em>]thiophene <em>S</em>,<em>S</em>-dioxide, Benzo[<em>b</em>]thiophene, 1,1-dioxide, Benzothiophene 1,1-dioxide, Benzothiophene <em>S</em>,<em>S</em>-dioxide, Benzothiophene sulfone, NSC 82162, Thianaphthene 1,1-dioxide, Thionaphthene 1,1-dioxide; object_uuid=fo-f80021592590ea69
cas_match_labels None {'825-44-5': 'exactMatch'} group_key=benzo[b]thiophene1,1-dioxide||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'825-44-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f80021592590ea69: {'825-44-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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