Basic information
- CAS
107427-81-6- Standard SMILES
CSC(=O)C(C)C#N- InChIKey
BJTPIIQTIDHLKO-UHFFFAOYSA-N- Molecular formula
- C5H7NOS
- Average molar mass
- 129.18 g/mol
- Monoisotopic mass
- 129.02483502
Names & identifiers
- Preferred name
- Propanethioic acid, 2-cyano-, S-methyl ester
- IUPAC
- S-methyl 2-cyanopropanethioate
Names & synonyms
Propanethioic acid, 2-cyano-, S-methyl ester107427-81-6DTXSID00469673RefChem:374555DTXCID50420491S-methyl 2-cyanopropanethioateSCHEMBL13700754
Database identifiers
- CAS
107427-81-6- PubChem CID
- 11629608
- DTXSID
DTXSID00469673- Nikkaji
- J2.305.633J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 135
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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