Dimethyl {[(diethylcarbamothioyl)sulfanyl]methyl}phosphonate
Basic information
- CAS
79661-21-5- Standard SMILES
CCN(CC)C(=S)SCP(=O)(OC)OC- InChIKey
KSLXSVCKRBUWJP-UHFFFAOYSA-N- Molecular formula
- C8H18NO3PS2
- Average molar mass
- 271.3 g/mol
- Monoisotopic mass
- 271.04657278
Names & identifiers
- Preferred name
- Dimethyl {[(diethylcarbamothioyl)sulfanyl]methyl}phosphonate
- IUPAC
- dimethoxyphosphorylmethyl N,N-diethylcarbamodithioate
Names & synonyms
79661-21-5DTXSID80823759Dimethyl {[(diethylcarbamothioyl)sulfanyl]methyl}phosphonate
Database identifiers
- CAS
79661-21-5- PubChem CID
- 71402811
- DTXSID
DTXSID80823759
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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