Ethanethioic acid, chloro-
Basic information
- CAS
867-49-2- Standard SMILES
O=C(S)CCl- InChIKey
IRYMZPFJICXSLB-UHFFFAOYSA-N- Molecular formula
- C2H3ClOS
- Average molar mass
- 110.56 g/mol
- Monoisotopic mass
- 109.9593136
Names & identifiers
- Preferred name
- Ethanethioic acid, chloro-
- IUPAC
- 2-chloroethanethioic S-acid
Names & synonyms
Ethanethioic acid, chloro-Chloroethanethioatealpha-Chlorothioacetic acid867-49-2DTXSID40235778RefChem:340216DTXCID70158269chlorothioacetic acidchloroethanethioic S-acidsulfhydryl chloromethyl ketone.alpha.-Chlorothioacetic acidSCHEMBL1027212
Show more names
SCHEMBL1027213SCHEMBL1573712AKOS006386109
Database identifiers
- CAS
867-49-2- PubChem CID
- 79116
- DTXSID
DTXSID40235778- Nikkaji
- J2.415.099B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 44.9
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Compound notes
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