Basic information
- CAS
54538-84-0- Standard SMILES
CNC(=O)O/N=C1\COCS1- InChIKey
ZKYYGMLZFIEKFZ-QPJJXVBHSA-N- Molecular formula
- C5H8N2O3S
- Average molar mass
- 176.2 g/mol
- Monoisotopic mass
- 176.0255633
Names & identifiers
- Preferred name
- 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)-
- IUPAC
- [(E)-1,3-oxathiolan-4-ylideneamino] N-methylcarbamate
Names & synonyms
1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)-54538-84-0
Database identifiers
- CAS
54538-84-0- PubChem CID
- 5484303
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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