Basic information
- CAS
63906-38-7- Standard SMILES
O=C(CS)OCCCl- InChIKey
WXQHDEXEROWAAQ-UHFFFAOYSA-N- Molecular formula
- C4H7ClO2S
- Average molar mass
- 154.62 g/mol
- Monoisotopic mass
- 153.9855283
Names & identifiers
- Preferred name
- Acetic acid, mercapto-, 2-chloroethyl ester
- IUPAC
- 2-chloroethyl 2-sulfanylacetate
Names & synonyms
ACETIC ACID, MERCAPTO-, 2-CHLOROETHYL ESTERAcetic acid, thiol, 2-chloroethyl ester63906-38-7DTXSID70213569RefChem:316647DTXCID50136060chloroethyl thioglycolate2-Chloroethyl sulfanylacetateSCHEMBL11599347AKOS006386327
Database identifiers
- CAS
63906-38-7- PubChem CID
- 45144
- DTXSID
DTXSID70213569- Nikkaji
- J86.232K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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