Benzo[b]thiophene 1,1-dioxide

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Benzo[b]thiophene 1,1-dioxide

UUID 24cf208b-e2c2-44ef-94b5-304b0e3a5c2c

Flow Object ID fo-f80021592590ea69

Source EF 3.1

Context Environmental → Air → Aircraft cruise height

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	`24cf208b-e2c2-44ef-94b5-304b0e3a5c2c`	benzo[b]thiophene 1,1-dioxide

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	benzo[b]thiophene 1,1-dioxide	Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere	kg	`exactMatch`	—

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

Attribute	Value
dimension	Environmental
media	Air
strata	Aircraft cruise height

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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