Basic information
- CAS
5463-08-1- Standard SMILES
CCOC(=O)Sc1nc2ccccc2[nH]1- InChIKey
AQZIYDSYWZXJOB-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2S
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.04629874
Names & identifiers
- Preferred name
- ethyl 1H-benzimidazol-2-ylsulfanylformate
- IUPAC
- ethyl 1H-benzimidazol-2-ylsulfanylformate
Names & synonyms
5463-08-1ethyl 1H-benzimidazol-2-ylsulfanylformates-1h-benzimidazol-2-yl o-ethyl carbonothioateNSC15266DTXSID40969900NSC-15266S-(1H-1,3-Benzimidazol-2-yl) O-ethyl carbonothioateCarbonic acid, thiol-, S-2-benzimidazolyl, O-ethyl ester
Database identifiers
- CAS
5463-08-1- PubChem CID
- 225656
- DTXSID
DTXSID40969900
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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