Consensus flow list

Identity

Type
Chemical salt
CAS
61617-00-3
EC
262-872-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Zinc 4-methyl-2-thioxo-2,3-dihydrobenzimidazol-1-ide 7-methyl-2-thioxo-2,3-dihydrobenzimidazol-1-ide

This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GHPJYLIEFFVDGR-UHFFFAOYSA-L, LIVZWWLQNHAXBN-UHFFFAOYSA-N, RPIYIASMGNFNRZ-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C8H8N2S.Zn/c1-5-2-3-6-7(4-5)10-8(11)9-6;1-5-3-2-4-6-7(5)10-8(11)9-6;/h2*2-4H,1H3,(H2,9,10,11);/q;;+2/p-2, InChI=1S/2C8H8N2S.Zn/c2*1-5-3-2-4-6-7(5)10-8(11)9-6;/h2*2-4H,1H3,(H2,9,10,11);/q;;+2/p-2, InChI=1S/C8H8N2S.Zn/c1-5-3-2-4-6-7(5)10-8(11)9-6;/h2-4H,1H3,(H2,9,10,11);
IUPAC name chemrof:IUPAC_name 4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc, zinc bis(4-methyl-1H-benzimidazole-2-thiolate), zinc;4-methyl-1H-benzimidazole-2-thiolate;6-methyl-1H-benzimidazole-2-thiolate
Molecular formula chemrof:molecular_formula C16H14N4S2Zn, C8H8N2SZn
SMILES string chemrof:smiles_string CC1=C2C(=CC=C1)NC(=N2)[S-].CC1=C2C(=CC=C1)NC(=N2)[S-].[Zn+2], CC1=C2C(=CC=C1)NC(=S)N2.[Zn], CC1=CC2=C(C=C1)N=C(N2)[S-].CC1=C2C(=CC=C1)NC(=N2)[S-].[Zn+2]

Known URLs

10

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=61617-00-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.057.138 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10880537 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VA29U26ZAR enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J224.180C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/129627443 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/168434424 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22833447 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/57358321 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27291715 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8f40363c-05df-4e54-be78-0acdab983d77 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0e930553-845a-4252-9642-420d95b155fe Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
20568e9b-30d5-4ca1-b265-2ef97c8bb298 Environmental → Air → Indoor EF 3.1 kg 4
932c523c-1d6c-4202-8d6b-97537b9f6fa9 Environmental → Air → Long-term EF 3.1 kg 0
8b236237-38bc-4123-8a25-e4358b64b887 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e0363942-1db1-4932-ad26-5863cad61a5b Environmental → Air → Unknown EF 3.1 kg 4
343c5c9c-c251-4d1d-a0d8-32447e6620c3 Environmental → Ground → Agricultural EF 3.1 kg 4
6b17e978-337b-4007-81b9-8c499a8391ef Environmental → Ground → Non-agricultural EF 3.1 kg 4
16b18ba0-ffe4-4e3b-8237-fbef4cb80cd5 Environmental → Ground → Unknown EF 3.1 kg 4
85487e66-4afb-4b7e-afde-6792d8a6aa83 Environmental → Water → Long-term EF 3.1 kg 0
490ee9a6-cca0-4ffc-8dda-10d11be0cf55 Environmental → Water → Ocean EF 3.1 kg 4
d6742f66-a431-412b-82ed-15681e4c467f Environmental → Water → Surface water EF 3.1 kg 4
d0123e99-bfb8-458c-8f00-90724ed626b3 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-de6bd6096bf900f3",
  "prefLabel": [
    {
      "@value": "Zinc 4-methyl-2-thioxo-2,3-dihydrobenzimidazol-1-ide 7-methyl-2-thioxo-2,3-dihydrobenzimidazol-1-ide",
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      }
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  ],
  "altLabel": [
    {
      "@value": "2H-Benzimidazole-2-thione, 1,3-dihydro-4(or 5)-methyl-, zinc salt (2:1)",
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    {
      "@value": "Zinc 2-mercaptotoluimidazole",
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    {
      "@value": "Zinc methylmercaptobenzimidazole",
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    },
    {
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  "properties": {
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/IUPAC_name": {
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