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Bensultap

UUID 8c0e45c7-65a0-4cba-ba56-9c18be814d04
Flow Object IDfo-34a351126251e7ba
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 17606-31-4
EC Numbers 605-769-1
prefLabel
Language Value Provenance
en Bensultap
altLabel ⓘ
Language Value Provenance
en S,S'-(2-(dimethylamino)-1,3-propanediyl)dibenzenesulfothioate
en S,S'-(2-(dimethylamino)trimethylene)bis(benzenethiosulfonate)
en S,S'-2-dimethylaminotrimethylene di(benzenethiosulfonate)
en S,S'-2-dimethylaminotrimethylene di(benzenethiosulphonate)
en S,S'-[2-(dimethylamino)propane-1,3-diyl] dibenzenesulfonothioate
en nereistoxin dibenzenesulfonate
en thiobenzenesulfonic acid S,S'-(2-(dimethylamino)trimethylene) ester
en 1,3-Bis(phenylsulfonylthio)-2-(<em>N</em>,<em>N</em>-dimethylamino)propane
en Bancol
en Benzenesulfonic acid, thio-, <em>S</em>,<em>S</em>′-[2-(dimethylamino)trimethylene] ester
en Benzenesulfonothioic acid, <em>S</em>,<em>S</em>′-[2-(dimethylamino)-1,3-propanediyl] ester
en Benzenesulfonothioic acid, <em>S</em><sup>1</sup>,<em>S</em><sup>1′</sup>-[2-(dimethylamino)-1,3-propanediyl] ester
en Ruban
en TI 1671
en TI 78
en Victenon
en ZZ-Doricida
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey YFXPPSKYMBTNAV-UHFFFAOYSA-N
InChI InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
IUPAC name 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethyl-propan-2-amine, 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine, 1,3-bis(benzenesulfonylthio)-N,N-dimethyl-2-propanamine, N,N-dimethyl-1,3-bis(phenylsulfonylsulfanyl)propan-2-amine, [2-(besylthio)-1-[(besylthio)methyl]ethyl]-dimethyl-amine
Molecular formula C17H21NO4S4
Molecular mass 431.626
Monoisotopic mass 431.03534
SMILES CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2, CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8c0e45c7-65a0-4cba-ba56-9c18be814d04 bensultap

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 bensultap Emissions/Emissions to water/Emissions to sea water 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=bensultap||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=17606-31-4; added Common Chemistry CAS names as altLabel: 1,3-Bis(phenylsulfonylthio)-2-(<em>N</em>,<em>N</em>-dimethylamino)propane, Bancol, Benzenesulfonic acid, thio-, <em>S</em>,<em>S</em>′-[2-(dimethylamino)trimethylene] ester, Benzenesulfonothioic acid, <em>S</em>,<em>S</em>′-[2-(dimethylamino)-1,3-propanediyl] ester, Benzenesulfonothioic acid, <em>S</em><sup>1</sup>,<em>S</em><sup>1′</sup>-[2-(dimethylamino)-1,3-propanediyl] ester, Ruban, TI 1671, TI 78, Victenon, ZZ-Doricida; object_uuid=fo-34a351126251e7ba
cas_match_labels 1 — consensus_match group_key=bensultap||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'17606-31-4': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-34a351126251e7ba: {'17606-31-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': "S,S'-(2-(dimethylamino)-1,3-propanediyl)dibenzenesulfothioate", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:S,S'-(2-(dimethylamino)-1,3-propanediyl)dibenzenesulfothioate", 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "S,S'-(2-(dimethylamino)trimethylene)bis(benzenethiosulfonate)", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:S,S'-(2-(dimethylamino)trimethylene)bis(benzenethiosulfonate)", 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "S,S'-2-dimethylaminotrimethylene di(benzenethiosulfonate)", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:S,S'-2-dimethylaminotrimethylene di(benzenethiosulfonate)", 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "S,S'-2-dimethylaminotrimethylene di(benzenethiosulphonate)", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:S,S'-2-dimethylaminotrimethylene di(benzenethiosulphonate)", 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "S,S'-[2-(dimethylamino)propane-1,3-diyl] dibenzenesulfonothioate", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:S,S'-[2-(dimethylamino)propane-1,3-diyl] dibenzenesulfonothioate", 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'nereistoxin dibenzenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:nereistoxin dibenzenesulfonate', 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "thiobenzenesulfonic acid S,S'-(2-(dimethylamino)trimethylene) ester", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:thiobenzenesulfonic acid S,S'-(2-(dimethylamino)trimethylene) ester", 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': "S,S'-(2-(dimethylamino)-1,3-propanediyl)dibenzenesulfothioate", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:S,S'-(2-(dimethylamino)-1,3-propanediyl)dibenzenesulfothioate", 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "S,S'-(2-(dimethylamino)trimethylene)bis(benzenethiosulfonate)", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:S,S'-(2-(dimethylamino)trimethylene)bis(benzenethiosulfonate)", 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "S,S'-2-dimethylaminotrimethylene di(benzenethiosulfonate)", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:S,S'-2-dimethylaminotrimethylene di(benzenethiosulfonate)", 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "S,S'-2-dimethylaminotrimethylene di(benzenethiosulphonate)", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:S,S'-2-dimethylaminotrimethylene di(benzenethiosulphonate)", 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "S,S'-[2-(dimethylamino)propane-1,3-diyl] dibenzenesulfonothioate", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:S,S'-[2-(dimethylamino)propane-1,3-diyl] dibenzenesulfonothioate", 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'nereistoxin dibenzenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:nereistoxin dibenzenesulfonate', 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "thiobenzenesulfonic acid S,S'-(2-(dimethylamino)trimethylene) ester", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:thiobenzenesulfonic acid S,S'-(2-(dimethylamino)trimethylene) ester", 'http://purl.obolibrary.org/obo/CHEBI_39188', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-Bis(phenylsulfonylthio)-2-(<em>N</em>,<em>N</em>-dimethylamino)propane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17606-31-4', 'https://commonchemistry.cas.org/detail?cas_rn=17606-31-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bancol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17606-31-4', 'https://commonchemistry.cas.org/detail?cas_rn=17606-31-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, thio-, <em>S</em>,<em>S</em>′-[2-(dimethylamino)trimethylene] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17606-31-4', 'https://commonchemistry.cas.org/detail?cas_rn=17606-31-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonothioic acid, <em>S</em>,<em>S</em>′-[2-(dimethylamino)-1,3-propanediyl] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17606-31-4', 'https://commonchemistry.cas.org/detail?cas_rn=17606-31-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonothioic acid, <em>S</em><sup>1</sup>,<em>S</em><sup>1′</sup>-[2-(dimethylamino)-1,3-propanediyl] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17606-31-4', 'https://commonchemistry.cas.org/detail?cas_rn=17606-31-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ruban', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17606-31-4', 'https://commonchemistry.cas.org/detail?cas_rn=17606-31-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TI 1671', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17606-31-4', 'https://commonchemistry.cas.org/detail?cas_rn=17606-31-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TI 78', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17606-31-4', 'https://commonchemistry.cas.org/detail?cas_rn=17606-31-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Victenon', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17606-31-4', 'https://commonchemistry.cas.org/detail?cas_rn=17606-31-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ZZ-Doricida', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17606-31-4', 'https://commonchemistry.cas.org/detail?cas_rn=17606-31-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=bensultap||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=17606-31-4; added Common Chemistry CAS names as altLabel: 1,3-Bis(phenylsulfonylthio)-2-(<em>N</em>,<em>N</em>-dimethylamino)propane, Bancol, Benzenesulfonic acid, thio-, <em>S</em>,<em>S</em>′-[2-(dimethylamino)trimethylene] ester, Benzenesulfonothioic acid, <em>S</em>,<em>S</em>′-[2-(dimethylamino)-1,3-propanediyl] ester, Benzenesulfonothioic acid, <em>S</em><sup>1</sup>,<em>S</em><sup>1′</sup>-[2-(dimethylamino)-1,3-propanediyl] ester, Ruban, TI 1671, TI 78, Victenon, ZZ-Doricida; object_uuid=fo-34a351126251e7ba
cas_match_labels None {'17606-31-4': 'exactMatch'} group_key=bensultap||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'17606-31-4': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-34a351126251e7ba: {'17606-31-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
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  "ec_numbers": [
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  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
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      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.41998
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    {
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.41998
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  ],
  "source": "EF 3.1",
  "identifier": "8c0e45c7-65a0-4cba-ba56-9c18be814d04",
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