Basic information
- CAS
1018-28-6- Standard SMILES
CCOP(=S)(OCC)SCC1(C)SCCS1- InChIKey
PBYOJMHVUCJVNU-UHFFFAOYSA-N- Molecular formula
- C9H19O2PS4
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.00055154
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-diethyl S-((2-methyl-1,3-dithiolan-2-yl)methyl) ester
- IUPAC
- diethoxy-[(2-methyl-1,3-dithiolan-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
- English name
- Phosphorodithioic acid O,O-diethyl=S-[(2-methyl-1,3-dithiolan-2-yl)methyl] ester
- Molecular formula
- C9H19O2PS4
- Molecular weight
- 318.479721
Names & synonyms
1018-28-6American cyanamid AC 47,921American cyanamid EL-47921ENT 27,092AC 47921E.I. 47921Phosphorodithioic acid, O,O-diethyl S-((2-methyl-1,3-dithiolan-2-yl)methyl) esterDTXSID5074426O,O-Diethyl S-((2-methyl-1,3-dithiolan-2-yl)methyl)phosphorodithioatePhosphorodithioic acid, O,O-diethyl S-[(2-methyl-1,3-dithiolan-2-yl)methyl] esterRefChem:371107DTXCID0032655
Show more names
ENT-27092E.I.47921Phosphorodithioic acid, O,O-diethyl S-[(2-methyl-1,3-dithiolan-2-yl)methyl] ester (7CI,8CI)
Phosphorodithioic acid O,O-diethyl=S-[(2-methyl-1,3-dithiolan-2-yl)methyl] estero,o-diethyl s-[(2-methyl-1,3-dithiolan-2-yl)methyl] phosphorodithioatediethoxy-[(2-methyl-1,3-dithiolan-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Database identifiers
- CAS
1018-28-6- PubChem CID
- 70550
- DTXSID
DTXSID5074426- Nikkaji
- J34.654C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 70 °C · 70 °C(Press: 0.001 Torr)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- Phosphorodithioic acid, O,O-diethyl S-[(2-methyl-1,3-dithiolan-2-yl)methyl] ester (1018-28-6)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…