Ethyl 4-[(2-chloroethyl)sulfanyl]butanoate
Basic information
- CAS
4303-47-3- Standard SMILES
CCOC(=O)CCCSCCCl- InChIKey
YDBOMLHGHSBTIS-UHFFFAOYSA-N- Molecular formula
- C8H15ClO2S
- Average molar mass
- 210.72 g/mol
- Monoisotopic mass
- 210.0481286
Names & identifiers
- Preferred name
- Ethyl 4-[(2-chloroethyl)sulfanyl]butanoate
- IUPAC
- ethyl 4-(2-chloroethylsulfanyl)butanoate
Names & synonyms
4303-47-3ethyl 4-[(2-chloroethyl)sulfanyl]butanoateNSC58804SCHEMBL10357469DTXSID10289061NSC-58804
Database identifiers
- CAS
4303-47-3- PubChem CID
- 246172
- DTXSID
DTXSID10289061
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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