2-((Methoxymethyl)thio)-1H-benzo[d]imidazole
Basic information
- CAS
321973-66-4- Standard SMILES
COCSc1nc2ccccc2[nH]1- InChIKey
HAJFYQAWOYHPOO-UHFFFAOYSA-N- Molecular formula
- C9H10N2OS
- Average molar mass
- 194.26 g/mol
- Monoisotopic mass
- 194.05138412
Names & identifiers
- Preferred name
- 2-((Methoxymethyl)thio)-1H-benzo[d]imidazole
- IUPAC
- 2-(methoxymethylsulfanyl)-1H-benzimidazole
- English name
- 1H-Benzimidazole,2-[(methoxymethyl)thio]-(9CI)
- Molecular formula
- C9H10N2OS
- Molecular weight
- 194.2535
Names & synonyms
321973-66-42-((Methoxymethyl)thio)-1H-benzo[d]imidazole1H-Benzimidazole,2-[(methoxymethyl)thio]-(9CI)
Database identifiers
- CAS
321973-66-4- PubChem CID
- 21177319
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
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Compound notes
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