Basic information
- CAS
59375-57-4- Standard SMILES
CNC(=O)ON=C1CS(=O)CCS1- InChIKey
WMJAOBLEVKPJKZ-UHFFFAOYSA-N- Molecular formula
- C6H10N2O3S2
- Average molar mass
- 222.3 g/mol
- Monoisotopic mass
- 222.01328453
Names & identifiers
- Preferred name
- 2-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxide
- IUPAC
- [(4-oxo-1,4-dithian-2-ylidene)amino] N-methylcarbamate
Names & synonyms
59375-57-42-(O-(Methylcarbamoyl)oximino)-1,4-dithiane 4-oxideDTXSID801031995[(4-oxo-1,4-dithian-2-ylidene)amino] N-methylcarbamate
Database identifiers
- CAS
59375-57-4- PubChem CID
- 43010
- DTXSID
DTXSID801031995
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…