Ent 27295
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Basic information
- CAS
17702-71-5- Standard SMILES
CCOP(=S)(OCC)SCN1C(=O)CSC1=O- InChIKey
BWUXAWHVLMDVJA-UHFFFAOYSA-N- Molecular formula
- C8H14NO4PS3
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 314.98225845
Names & identifiers
- Preferred name
- Ent 27295
- IUPAC
- 3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
- English name
- Dithiophosphoric acid S-[(2,4-dioxothiazolidin-5-yl)methyl]O,O-diethyl ester
- Molecular formula
- C8H14NO4PS3
- Molecular weight
- 315.37
Names & synonyms
Stauffer R-723917702-71-5R 7239ENT 27,295BRN 1137491ENT 27295S-((2,4-Dioxo-3-thiazolidinyl)methyl) O,O-diethyl phosphorodithioatePhosphorodithioic acid, O,O-diethyl ester, S-ester with 3-(mercaptomethyl)-2,4-thiazolidinedionePhosphorodithioic acid, S-((2,4-dioxo-3-thiazolidinyl)methyl) O,O-diethyl esterRefChem:3396123-(diethoxyphosphinothioylsulfanylmethyl)-1,3-thiazolidine-2,4-diones-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl] o,o-diethyl phosphorodithioate
Show more names
R-7239Phosphorodithioic acid, S-[(2,4-dioxo-3-thiazolidinyl)methyl] O,O-diethyl ester
DTXSID90938888Dithiophosphoric acid S-[(2,4-dioxothiazolidin-5-yl)methyl]O,O-diethyl ester
Database identifiers
- CAS
17702-71-5- PubChem CID
- 87257
- DTXSID
DTXSID90938888
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Boiling point
- 392.642 · 392.642±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.446 · 1.446±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.8 · -2.800±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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