Basic information
- CAS
63012-13-5- Standard SMILES
CCOC(=O)[C@@H]1C[C@@H]1Sc1ccccc1- InChIKey
VKXWMRJUJPLRGU-MNOVXSKESA-N- Molecular formula
- C12H14O2S
- Average molar mass
- 222.31 g/mol
- Monoisotopic mass
- 222.07145086
Names & identifiers
- Preferred name
- Ethyl (1S,2S)-2-(phenylsulfanyl)cyclopropane-1-carboxylate
- IUPAC
- cis-ethyl (1S,2S)-2-phenylsulfanylcyclopropane-1-carboxylate
Names & synonyms
63012-13-5Ethyl (1S,2S)-2-(phenylsulfanyl)cyclopropane-1-carboxylateSCHEMBL31317404DTXSID00573724REL-ETHYL (1S,2S)-2-(PHENYLTHIO)CYCLOPROPANE-1-CARBOXYLATEF96537
Database identifiers
- CAS
63012-13-5- PubChem CID
- 15531069
- DTXSID
DTXSID00573724- Nikkaji
- J3.700.599A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…