Phosphorodithioic acid, O,O-diethyl ester, S-ester with N-ethyl-2-mercaptoacetamide
Basic information
- CAS
29800-19-9- Standard SMILES
CCNC(=O)CSP(=S)(OCC)OCC- InChIKey
CPUUWGNOZPRCDF-UHFFFAOYSA-N- Molecular formula
- C8H18NO3PS2
- Average molar mass
- 271.3 g/mol
- Monoisotopic mass
- 271.04657278
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-diethyl ester, S-ester with N-ethyl-2-mercaptoacetamide
- IUPAC
- 2-diethoxyphosphinothioylsulfanyl-N-ethylacetamide
Names & synonyms
BRN 187780029800-19-9O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioateDTXSID60183944Phosphorodithioic acid, O,O-diethyl S-(2-(ethylamino)-2-oxoethyl) esterPhosphorodithioic acid, O,O-diethyl ester, S-ester with N-ethyl-2-mercaptoacetamidePhosphorodithioic acid, O,O-diethyl ester, S-ester with N-ethyl-2-mercaptoacetamide (8CI)RefChem:371105DTXCID00106435SCHEMBL11810832O,O-Diethyl S-[2-(ethylamino)-2-oxoethyl] phosphorodithioate
Database identifiers
- CAS
29800-19-9- PubChem CID
- 207377
- DTXSID
DTXSID60183944
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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