1-(4-Methylsulfanylphenyl)-1H-benzoimidazole
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Basic information
- CAS
870450-90-1- Standard SMILES
CSc1ccc(-n2cnc3ccccc32)cc1- InChIKey
GHLSHBRWTJCFFT-UHFFFAOYSA-N- Molecular formula
- C14H12N2S
- Average molar mass
- 240.33 g/mol
- Monoisotopic mass
- 240.07211956
Names & identifiers
- Preferred name
- 1-(4-Methylsulfanylphenyl)-1H-benzoimidazole
- IUPAC
- 1-(4-methylsulfanylphenyl)benzimidazole
- English name
- 1-(4-METHYLSULFANYLPHENYL)-1H-BENZOIMIDAZOLE
- Molecular formula
- C14H12N2S
- Molecular weight
- 240.32
Names & synonyms
870450-90-11-(4-Methylsulfanylphenyl)-1H-benzoimidazoleSCHEMBL31294906SCHEMBL31294907DTXSID704698271-[4-(Methylsulfanyl)phenyl]-1H-benzimidazole1-(4-(Methylthio)phenyl)-1H-benzo[d]imidazole1-[4-(Methylsulfanyl)phenyl]-1H-1,3-benzimidazole
Database identifiers
- CAS
870450-90-1- PubChem CID
- 11637298
- DTXSID
DTXSID70469827
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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