Basic information
- CAS
112823-06-0- Standard SMILES
CCOC(=O)CC1(N=C=S)CCCC1- InChIKey
CJRDNUSEDNCRCS-UHFFFAOYSA-N- Molecular formula
- C10H15NO2S
- Average molar mass
- 213.3 g/mol
- Monoisotopic mass
- 213.08234989
Names & identifiers
- Preferred name
- Ethyl 1-isothiocyanatocyclopentaneacetate
- IUPAC
- ethyl 2-(1-isothiocyanatocyclopentyl)acetate
Names & synonyms
Ethyl 1-isothiocyanatocyclopentaneacetate112823-06-0SCHEMBL9533267DTXSID301272845Ethyl (1-isothiocyanatocyclopentyl)acetate
Database identifiers
- CAS
112823-06-0- PubChem CID
- 20162914
- DTXSID
DTXSID301272845
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…