2-(2-Chloroethylsulfanyl)ethyl 2-ethylbutanoate
Basic information
- CAS
91139-02-5- Standard SMILES
CCC(CC)C(=O)OCCSCCCl- InChIKey
OEPASTVOYOFZAR-UHFFFAOYSA-N- Molecular formula
- C10H19ClO2S
- Average molar mass
- 238.78 g/mol
- Monoisotopic mass
- 238.0794287
Names & identifiers
- Preferred name
- 2-(2-Chloroethylsulfanyl)ethyl 2-ethylbutanoate
- IUPAC
- 2-(2-chloroethylsulfanyl)ethyl 2-ethylbutanoate
Names & synonyms
91139-02-52-(2-chloroethylsulfanyl)ethyl 2-ethylbutanoateNSC363062-[(2-chloroethyl)sulfanyl]ethyl 2-ethylbutanoateDTXSID40284246NSC-36306
Database identifiers
- CAS
91139-02-5- PubChem CID
- 235205
- DTXSID
DTXSID40284246
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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