Basic information
- CAS
3772-48-3- Standard SMILES
CCOP(=S)(OCC)SCCSCC(=O)NC- InChIKey
HHNUWUVKGZCEAX-UHFFFAOYSA-N- Molecular formula
- C9H20NO3PS3
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.03429402
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-diethyl S-(2-((methylcarbamoyl)methylthio)ethyl) ester
- IUPAC
- 2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)-N-methylacetamide
- English name
- Dithiophosphoric acid O,O-diethyl S-[2-[(methylcarbamoyl)methylthio]ethyl] ester
- Molecular formula
- C9H20NO3PS3
- Molecular weight
- 317.43
Names & synonyms
Rhodia RP-9349Niagara 9205RP 9349NIA-92053772-48-3ENT 26,614BRN 1882437Phosphorodithioic acid, O,O-diethyl S-(2-((methylcarbamoyl)methylthio)ethyl) esterDTXSID10191155RefChem:371123DTXCID20113646o,o-diethyl s-(2-{[2-(methylamino)-2-oxoethyl]sulfanyl}ethyl) phosphorodithioate
Show more names
RP-9349ENT-26614Niagara-9205Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-[(2-mercaptoethyl)thio]-N-methylacetamide (7CI,8CI)
Dithiophosphoric acid O,O-diethyl S-[2-[(methylcarbamoyl)methylthio]ethyl] ester
Database identifiers
- CAS
3772-48-3- PubChem CID
- 77394
- DTXSID
DTXSID10191155- Nikkaji
- J96.876E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 15.16 · 15.16±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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