Basic information
- Standard SMILES
CCOC(=O)CSc1nc2ccc(OC)cc2[nH]1- InChIKey
KNTCFMJVLAYQIG-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3S
- Average molar mass
- 266.32 g/mol
Names & identifiers
- Preferred name
- ethyl [(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate
- IUPAC
- ethyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate
Names & synonyms
ethyl [(5-methoxy-1H-benzimidazol-2-yl)thio]acetate hydrochlorideOprea1_128827SCHEMBL2554433SCHEMBL30406237KNTCFMJVLAYQIG-UHFFFAOYSA-NSTL137711AKOS005715218AKOS005873166AE-848/09582062ethyl [(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate(6-methoxy-1H-benzoimidazol-2-ylsulfanyl)-acetic acid ethyl ester(6-Methoxy-1H-benzoimidazol-2-ylsulfanyl)acetic acid ethyl ester
Database identifiers
- PubChem CID
- 871011
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
2 records
Compound notes
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