1-(Chlorosulfanyl)-1-oxoethane
Basic information
- CAS
6405-82-9- Standard SMILES
CC(=O)SCl- InChIKey
ANWTVOZZMFLZRI-UHFFFAOYSA-N- Molecular formula
- C2H3ClOS
- Average molar mass
- 110.56 g/mol
- Monoisotopic mass
- 109.9593136
Names & identifiers
- Preferred name
- 1-(Chlorosulfanyl)-1-oxoethane
- IUPAC
- S-chloro ethanethioate
Names & synonyms
acetylsulfenyl chlorideS-chloro ethanethioate6405-82-91-(Chlorosulfanyl)-1-oxoethane1-(chlorosulfanyl)ethan-1-oneSCHEMBL11959551DTXSID60499532EN300-7563654
Database identifiers
- CAS
6405-82-9- PubChem CID
- 12470541
- DTXSID
DTXSID60499532
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 44.9
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
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Compound notes
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