Basic information
- Standard SMILES
C=CCSc1nc2cc(C)c(C)cc2[nH]1- InChIKey
UBKRYFUNBXFGDH-UHFFFAOYSA-N- Molecular formula
- C12H14N2S
- Average molar mass
- 218.32 g/mol
Names & identifiers
- Preferred name
- 2-Allylsulfanyl-5,6-dimethyl-1H-benzoimidazole
- IUPAC
- 5,6-dimethyl-2-prop-2-enylsulfanyl-1H-benzimidazole
Names & synonyms
173352-12-02-(Allylthio)-5,6-dimethyl-1H-benzo[d]imidazole2-Allylsulfanyl-5,6-dimethyl-1H-benzoimidazoleUBKRYFUNBXFGDH-UHFFFAOYSA-N2-Allylthio-5,6-dimethylbenzimidazoleAKOS000639706
Database identifiers
- PubChem CID
- 3124642
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Related reactions
2 records
Compound notes
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