Consensus flow list

Dibismuth Trisulphide

fo-6b597b2318c08eb4

Identity

Type
Neutral molecule
CAS
1345-07-9
EC
215-716-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Dibismuth Trisulphide

This substance carries 8 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AZRUTJCZRXDQRH-UHFFFAOYSA-N, NWFZLGWPKUUNDG-UHFFFAOYSA-N, PUMXGEVUYOJJEY-UHFFFAOYSA-N, RJSILSMQHXJVGU-UHFFFAOYSA-N, RKZAYPOPFHHDIL-UHFFFAOYSA-N, WPQBJTWMEYTWKK-UHFFFAOYSA-N, YNRGZHRFBQOYPP-UHFFFAOYSA-N, ZABYETDLLXARHZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string 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.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
IUPAC name chemrof: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, 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, sulfanylidenebismuthane, sulfanylidenebismuthanylium, sulfanylidenebismuthine, sulfanylidenebismuthinylium, thioxo(thioxobismuthanylsulfanyl)bismuthane, thioxo-(thioxobismuthinylthio)bismuthine, thioxobismuthane, thioxobismuthanylium, thioxobismuthine, thioxobismuthinylium
Molecular formula chemrof:molecular_formula Bi2H6S3, Bi2S3, Bi4S6, BiHS, BiS+, C12H17Cl2NO3
SMILES string chemrof:smiles_string CC1(CC1(Cl)Cl)C(=O)N2CCC(CC2)C(=O)OC, 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, [S-2].[S-2].[S-2].[Bi+3].[Bi+3]

Known URLs

15

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1345-07-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.287 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID601014434 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XZC47M60X8 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/121233129 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131675215 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13766273 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14944 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/155885196 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/160976 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16682960 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/51072694 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q419909 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bismuth(III)_sulfide enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bismuthinite enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
103376d9-74f4-4c05-94d5-d408b84b8c6f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a3fec153-1609-454a-9145-105addc578a8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
70dcd229-48ef-4c26-93b5-2c07823f1bf7 Environmental → Air → Indoor EF 3.1 kg 2
482e5d49-7316-4009-b93c-748c7c5bf8c4 Environmental → Air → Long-term EF 3.1 kg 0
6e5e8929-cf94-4cd1-8c19-44336024415e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7865a056-52ab-46d0-91fc-5fe6f94f177d Environmental → Air → Unknown EF 3.1 kg 2
029241a8-1c47-4713-8f31-32adc4cb9338 Environmental → Ground → Agricultural EF 3.1 kg 2
eb200659-6364-44fe-86f4-c13ceba3de80 Environmental → Ground → Non-agricultural EF 3.1 kg 2
944a0c46-9df4-46b7-91df-6d444005a632 Environmental → Ground → Unknown EF 3.1 kg 2
cd00b4f3-ef6f-4304-9199-d4c827ff2581 Environmental → Water → Long-term EF 3.1 kg 0
4adcca60-5c9a-47b1-9fdf-dcdf937abae0 Environmental → Water → Ocean EF 3.1 kg 2
9b5b26a1-e7d2-4b90-8fbe-2420ae98068c Environmental → Water → Surface water EF 3.1 kg 2
3d616c58-a9f1-4a3c-8956-55c814d5b370 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "AustroTec Bis 84",
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      "@value": "Bismuth sulfide",
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    {
      "@value": "Bismuth sulfide (Bi2S3)",
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    {
      "@value": "Bismuth(3+) sulfide",
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    },
    {
      "@value": "Dibismuth trisulfide",
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        "BiHS": [
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        "BiS+": [
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        "C12H17Cl2NO3": [
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      "rdfs:label": "Molecular formula",
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        "S=S=[Bi].S=[Bi]",
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        "InChI=1S/2Bi.S2.S/c;;1-2;",
        "InChI=1S/4Bi.6S",
        "InChI=1S/Bi.S.H",
        "InChI=1S/Bi.S/q+1;",
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      "@value": [
        "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",
        "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",
        "sulfanylidenebismuthane",
        "sulfanylidenebismuthanylium",
        "sulfanylidenebismuthine",
        "sulfanylidenebismuthinylium",
        "thioxo(thioxobismuthanylsulfanyl)bismuthane",
        "thioxo-(thioxobismuthinylthio)bismuthine",
        "thioxobismuthane",
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      ],
      "attested_by": {
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        ],
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        ],
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        ],
        "methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidine-4-carboxylate": [
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        ],
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        "sulfanylidenebismuthane": [
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        "sulfanylidenebismuthanylium": [
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        "sulfanylidenebismuthine": [
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        "sulfanylidenebismuthinylium": [
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        "thioxo(thioxobismuthanylsulfanyl)bismuthane": [
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        "thioxobismuthane": [
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        "thioxobismuthanylium": [
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        "thioxobismuthine": [
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        "thioxobismuthinylium": [
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