1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (Z)-
Basic information
- CAS
54266-74-9- Standard SMILES
O=C(NCCCl)O/N=C1/COCS1- InChIKey
IDTLBKHHWDNEAQ-UITAMQMPSA-N- Molecular formula
- C6H9ClN2O3S
- Average molar mass
- 224.67 g/mol
- Monoisotopic mass
- 224.002241
Names & identifiers
- Preferred name
- 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (Z)-
- IUPAC
- [(Z)-1,3-oxathiolan-4-ylideneamino] N-(2-chloroethyl)carbamate
Names & synonyms
1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (Z)-54266-74-9
Database identifiers
- CAS
54266-74-9- PubChem CID
- 5488567
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
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Compound notes
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