Basic information
- Standard SMILES
CCOC(=O)c1cc(SCC)cc2[nH]c(N)nc12- InChIKey
HAQLHLZMQOFRII-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2S
- Average molar mass
- 265.33 g/mol
Names & identifiers
- Preferred name
- 2-amino-6-ethylsulfanyl-1H-benzoimidazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-amino-6-ethylsulfanyl-1H-benzimidazole-4-carboxylate
Names & synonyms
SCHEMBL1203247HAQLHLZMQOFRII-UHFFFAOYSA-N2-amino-6-ethylsulfanyl-1H-benzoimidazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66940818
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Related reactions
10 records
Compound notes
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