1-Ethyl-3-methylbenzimidazole-2-thione
Basic information
- CAS
53243-07-5- Standard SMILES
CCn1c(=S)n(C)c2ccccc21- InChIKey
BLNDCZVBFRVGCN-UHFFFAOYSA-N- Molecular formula
- C10H12N2S
- Average molar mass
- 192.28 g/mol
- Monoisotopic mass
- 192.07211956
Names & identifiers
- Preferred name
- 1-Ethyl-3-methylbenzimidazole-2-thione
- IUPAC
- 1-ethyl-3-methylbenzimidazole-2-thione
Names & synonyms
1-ethyl-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione1-ethyl-3-methylbenzimidazole-2-thioneSTK378415AKOS005448449ST508803193-ethyl-1-methyl-3-hydrobenzimidazole-2-thione
Database identifiers
- CAS
53243-07-5- PubChem CID
- 3340109
- EC Number
- 119-290-6
- Nikkaji
- J787.208I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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