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Dibismuth Trisulphide

2D structure
UUID 4adcca60-5c9a-47b1-9fdf-dcdf937abae0
Flow Object IDfo-6b597b2318c08eb4
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 1345-07-9
EC Numbers 215-716-0
prefLabel
Language Value Provenance
en Dibismuth Trisulphide
altLabel ⓘ
Language Value Provenance
en AustroTec Bis 84
en BIS 83
en BIS 84
en Bismuth sesquisulfide
en Bismuth sulfide
en Bismuth sulfide (Bi<sub>2</sub>S<sub>3</sub>)
en Bismuth(3+) sulfide
en C.I. 77172
en Dibismuth trisulfide
References
Shared Properties
Predicate Value
InChIKey AZRUTJCZRXDQRH-UHFFFAOYSA-N, DQXQROIYRLCRES-UHFFFAOYSA-N, NWFZLGWPKUUNDG-UHFFFAOYSA-N, PUMXGEVUYOJJEY-UHFFFAOYSA-N, RBWFXUOHBJGAMO-UHFFFAOYSA-N, RJSILSMQHXJVGU-UHFFFAOYSA-N, RKZAYPOPFHHDIL-UHFFFAOYSA-N, WPQBJTWMEYTWKK-UHFFFAOYSA-N, YNRGZHRFBQOYPP-UHFFFAOYSA-N, ZABYETDLLXARHZ-UHFFFAOYSA-N
InChI InChI=1S/2Bi.3H2S/h;;3*1H2, InChI=1S/2Bi.3S, InChI=1S/2Bi.3S/q2*+3;3*-2, InChI=1S/2Bi.S2.S/c;;1-2;, InChI=1S/4Bi.6S, InChI=1S/Bi.S, InChI=1S/Bi.S.H, InChI=1S/Bi.S/q+1;, InChI=1S/C12H17Cl2NO3/c1-11(7-12(11,13)14)10(17)15-5-3-8(4-6-15)9(16)18-2/h8H,3-7H2,1-2H3, InChI=1S/C23H25N5O13/c1-10-8-26(23(33)25-21(10)32)22-18(24-15-6-5-14(27(34)35)7-16(15)28(36)37)20(40-13(4)31)19(39-12(3)30)17(41-22)9-38-11(2)29/h5-8,17-20,22,24H,9H2,1-4H3,(H,25,32,33)
IUPAC name 1-(2,2-dichloro-1-methyl-cyclopropanecarbonyl)isonipecotic acid methyl ester, 1-[(2,2-dichloro-1-methylcyclopropyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester, 2,4,6,8,9,10-hexathia-1,3,5,7-tetrabismatricyclo[3.3.1.13,7]decane, [3,4-diacetoxy-5-(2,4-dinitroanilino)-6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate, [3,4-diacetyloxy-5-(2,4-dinitroanilino)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate, [3,4-diacetyloxy-5-[(2,4-dinitrophenyl)amino]-6-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxan-2-yl]methyl ethanoate, acetic acid [3,4-diacetoxy-6-(2,4-diketo-5-methyl-pyrimidin-1-yl)-5-(2,4-dinitroanilino)tetrahydropyran-2-yl]methyl ester, acetic acid [3,4-diacetyloxy-5-(2,4-dinitroanilino)-6-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxanyl]methyl ester, dibismuth;trisulfide, methyl 1-(2,2-dichloro-1-methyl-cyclopropanecarbonyl)piperidine-4-carboxylate, methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidine-4-carboxylate, methyl 1-[2,2-bis(chloranyl)-1-methyl-cyclopropyl]carbonylpiperidine-4-carboxylate, sulfanylidene(sulfanylidenebismuthanylsulfanyl)bismuthane, sulfanylidene-(sulfanylidenebismuthinylthio)bismuthine, sulfanylidenebismuth, sulfanylidenebismuthane, sulfanylidenebismuthanylium, sulfanylidenebismuthine, sulfanylidenebismuthinylium, thioxo(thioxobismuthanylsulfanyl)bismuthane, thioxo-(thioxobismuthinylthio)bismuthine, thioxobismuth, thioxobismuthane, thioxobismuthanylium, thioxobismuthine, thioxobismuthinylium
Molecular formula Bi2H6S3, Bi2S3, Bi4S6, BiHS, BiS, BiS+, C12H17Cl2NO3, C23H25N5O13
Molecular mass 294.178
Monoisotopic mass 293.058549
SMILES CC1(CC1(Cl)Cl)C(=O)N2CCC(CC2)C(=O)OC, CC1=CN(C(=O)NC1=O)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-], COC(=O)C1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1, S.S.S.[Bi].[Bi], S1[Bi]2S[Bi]3S[Bi]1S[Bi](S2)S3, S=S=[Bi].S=[Bi], S=[Bi+], S=[BiH], S=[Bi], S=[Bi]S[Bi]=S, [S-2].[S-2].[S-2].[Bi+3].[Bi+3]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4adcca60-5c9a-47b1-9fdf-dcdf937abae0 dibismuth trisulphide

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 dibismuth trisulphide 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=dibismuthtrisulphide||dimension=Environmental > media=Ground > geography=Agricultural; cas=1345-07-9; added Common Chemistry CAS names as altLabel: AustroTec Bis 84, BIS 83, BIS 84, Bismuth sesquisulfide, Bismuth sulfide, Bismuth sulfide (Bi<sub>2</sub>S<sub>3</sub>), Bismuth(3+) sulfide, C.I. 77172, Dibismuth trisulfide; object_uuid=fo-6b597b2318c08eb4
cas_match_labels 1 — consensus_match group_key=dibismuthtrisulphide||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1345-07-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6b597b2318c08eb4: {'1345-07-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'AustroTec Bis 84', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1345-07-9', 'https://commonchemistry.cas.org/detail?cas_rn=1345-07-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'BIS 83', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1345-07-9', 'https://commonchemistry.cas.org/detail?cas_rn=1345-07-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'BIS 84', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1345-07-9', 'https://commonchemistry.cas.org/detail?cas_rn=1345-07-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bismuth sesquisulfide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1345-07-9', 'https://commonchemistry.cas.org/detail?cas_rn=1345-07-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bismuth sulfide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1345-07-9', 'https://commonchemistry.cas.org/detail?cas_rn=1345-07-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bismuth sulfide (Bi<sub>2</sub>S<sub>3</sub>)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1345-07-9', 'https://commonchemistry.cas.org/detail?cas_rn=1345-07-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bismuth(3+) sulfide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1345-07-9', 'https://commonchemistry.cas.org/detail?cas_rn=1345-07-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. 77172', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1345-07-9', 'https://commonchemistry.cas.org/detail?cas_rn=1345-07-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dibismuth trisulfide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1345-07-9', 'https://commonchemistry.cas.org/detail?cas_rn=1345-07-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=dibismuthtrisulphide||dimension=Environmental > media=Ground > geography=Agricultural; cas=1345-07-9; added Common Chemistry CAS names as altLabel: AustroTec Bis 84, BIS 83, BIS 84, Bismuth sesquisulfide, Bismuth sulfide, Bismuth sulfide (Bi<sub>2</sub>S<sub>3</sub>), Bismuth(3+) sulfide, C.I. 77172, Dibismuth trisulfide; object_uuid=fo-6b597b2318c08eb4
cas_match_labels None {'1345-07-9': 'exactMatch'} group_key=dibismuthtrisulphide||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1345-07-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6b597b2318c08eb4: {'1345-07-9': '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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  "context": {
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    "media": "Water",
    "water_body": "Ocean"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1.9773e-11
    },
    {
      "method_uuid": "dacd48b5-4da5-49aa-aff4-cd5f5495c037",
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      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1.9773e-11
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  "source": "EF 3.1",
  "identifier": "4adcca60-5c9a-47b1-9fdf-dcdf937abae0",
  "input_datasets": [
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  "source_refs": [
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      "source_flow_name": "dibismuth trisulphide",
      "source_metadata": {
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        "original_context": [
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  "prefLabel": [
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  "_sources": {
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    "unit_iri": "unit_normalization",
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        "COC(=O)C1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1",
        "S.S.S.[Bi].[Bi]",
        "S1[Bi]2S[Bi]3S[Bi]1S[Bi](S2)S3",
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        "S=[Bi+]",
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        "InChI=1S/2Bi.3S/q2*+3;3*-2",
        "InChI=1S/2Bi.S2.S/c;;1-2;",
        "InChI=1S/4Bi.6S",
        "InChI=1S/Bi.S",
        "InChI=1S/Bi.S.H",
        "InChI=1S/Bi.S/q+1;",
        "InChI=1S/C12H17Cl2NO3/c1-11(7-12(11,13)14)10(17)15-5-3-8(4-6-15)9(16)18-2/h8H,3-7H2,1-2H3",
        "InChI=1S/C23H25N5O13/c1-10-8-26(23(33)25-21(10)32)22-18(24-15-6-5-14(27(34)35)7-16(15)28(36)37)20(40-13(4)31)19(39-12(3)30)17(41-22)9-38-11(2)29/h5-8,17-20,22,24H,9H2,1-4H3,(H,25,32,33)"
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        "1-[(2,2-dichloro-1-methylcyclopropyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester",
        "2,4,6,8,9,10-hexathia-1,3,5,7-tetrabismatricyclo[3.3.1.13,7]decane",
        "[3,4-diacetoxy-5-(2,4-dinitroanilino)-6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate",
        "[3,4-diacetyloxy-5-(2,4-dinitroanilino)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate",
        "[3,4-diacetyloxy-5-[(2,4-dinitrophenyl)amino]-6-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxan-2-yl]methyl ethanoate",
        "acetic acid [3,4-diacetoxy-6-(2,4-diketo-5-methyl-pyrimidin-1-yl)-5-(2,4-dinitroanilino)tetrahydropyran-2-yl]methyl ester",
        "acetic acid [3,4-diacetyloxy-5-(2,4-dinitroanilino)-6-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxanyl]methyl ester",
        "dibismuth;trisulfide",
        "methyl 1-(2,2-dichloro-1-methyl-cyclopropanecarbonyl)piperidine-4-carboxylate",
        "methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidine-4-carboxylate",
        "methyl 1-[2,2-bis(chloranyl)-1-methyl-cyclopropyl]carbonylpiperidine-4-carboxylate",
        "sulfanylidene(sulfanylidenebismuthanylsulfanyl)bismuthane",
        "sulfanylidene-(sulfanylidenebismuthinylthio)bismuthine",
        "sulfanylidenebismuth",
        "sulfanylidenebismuthane",
        "sulfanylidenebismuthanylium",
        "sulfanylidenebismuthine",
        "sulfanylidenebismuthinylium",
        "thioxo(thioxobismuthanylsulfanyl)bismuthane",
        "thioxo-(thioxobismuthinylthio)bismuthine",
        "thioxobismuth",
        "thioxobismuthane",
        "thioxobismuthanylium",
        "thioxobismuthine",
        "thioxobismuthinylium"
      ],
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