1,3-dihydro-4(or 5)-methyl-2h-benzimidazole-2-thione
fo-350e2779e7d45ef5
Identity
- Type
- NeutralMolecule
- CAS
- 53988-10-6
- EC
- 258-904-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
18- 2-Mercaptomethylbenzimidazole
- 2-Mercaptotoluimidazole
- 2-Mercaptotolylimidazole
- 2H-Benzimidazole-2-thione, 1,3-dihydro-4(or 5)-methyl-
- 4(or 5)-Methyl-2-benzimidazolethiol
- Antioxidant MMB
- Antioxidant MMBI
- MB 2MG
- Methyl-2-mercaptobenzimidazole
- MMB
- MMBI
- MTI
- Nocrac MMB
- Rhenogran MMBI 70
- Vanox MTI
- Vulkanox MB 2
- Vulkanox MB 2MG
- Vulkanox MG-C
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GCMLCTWYEADUTG-UHFFFAOYSA-N, UDQCDDZBBZNIFA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H16N2S/c1-5-3-2-4-6-7(5)10-8(11)9-6/h5-11H,2-4H2,1H3, InChI=1S/C8H8N2S/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, 4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole-2-thiol |
| Molecular formula chemrof:molecular_formula | C8H16N2S, C8H8N2S |
| SMILES string chemrof:smiles_string | CC1=C2C(=CC=C1)NC(=S)N2, CC1CCCC2C1NC(N2)S |
Known URLs
13Where 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=27231-33-0 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=53988-10-6 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.053.532 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.439.997 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2067290 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=129263 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4879224 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246500 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J269.486G | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.730.219H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/170905524 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3034478 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q81977000 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f9e1d88e-b359-4e79-ba2e-c1c53b820cc3 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| f0ecd7f5-6929-4c2b-a480-2e277765ccea | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 19a2f27b-e328-4a4f-9d9f-cdffb38b83da | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 81755277-2458-47e4-a0a9-bd8fcfea7a3c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b659bd5a-9da1-4c7c-af59-d8dd8018d9f2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| a6b6b0c8-90ff-4555-96ae-1d049f8b8895 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| bdf1372b-e255-4559-9ef6-c6fc3097948c | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| ea9eca4a-f31c-490f-a749-a7609c79ca1c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 696e5e57-ba08-4d6f-b728-faddb85505a7 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 367d50cd-135c-4c04-95ff-02c475d81a5c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| aec2348c-7f23-4ff7-90c8-d10fabad9856 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 85aee4ff-5835-441a-87da-07fcf32bd52c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 2588a1ac-69fa-44c6-958a-b0b01e32a85e | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
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