Zinc 4-methyl-2-thioxo-2,3-dihydrobenzimidazol-1-ide 7-methyl-2-thioxo-2,3-dihydrobenzimidazol-1-ide
fo-de6bd6096bf900f3
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
This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
11- 2H-Benzimidazole-2-thione, 1,3-dihydro-4(or 5)-methyl-, zinc salt (2:1)
- Antioxidant ZMMBI
- Nocrac MMBZ
- Rhenogran ZMMBI 50
- Vanox ZMTI
- Vulkanox ZMB 2
- Vulkanox ZMBI
- Zinc 2-mercaptotoluimidazole
- Zinc methylmercaptobenzimidazole
- ZMMBI
- ZMTI
Properties
| Property | Value |
|---|---|
| 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
10Where 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)
Full record
Flow object JSON
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