Basic information
- CAS
36320-66-8- Standard SMILES
CCOC(=O)CCSC#N- InChIKey
DCENGZKORWLZKU-UHFFFAOYSA-N- Molecular formula
- C6H9NO2S
- Average molar mass
- 159.21 g/mol
- Monoisotopic mass
- 159.0353997
Names & identifiers
- Preferred name
- Ethyl 3-(thiocyanato)propanoate
- IUPAC
- ethyl 3-thiocyanatopropanoate
Names & synonyms
Ethyl 3-(thiocyanato)propanoate36320-66-8DTXSID90495027
Database identifiers
- CAS
36320-66-8- PubChem CID
- 12374768
- DTXSID
DTXSID90495027
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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