2-(Diethoxyphosphinothioylimino)-1,3-dithiolane
Basic information
- CAS
333-29-9- Standard SMILES
CCOP(=S)(N=C1SCCS1)OCC- InChIKey
YWITZONHXPIYDK-UHFFFAOYSA-N- Molecular formula
- C7H14NO2PS3
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 270.99242921
Names & identifiers
- Preferred name
- 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane
- IUPAC
- N-diethoxyphosphinothioyl-1,3-dithiolan-2-imine
- English name
- PHOSPHOLAN
- Molecular formula
- C7H14NO2PS3
- Molecular weight
- 271.36
Names & synonyms
2-(Diethoxyphosphinothioylimino)-1,3-dithiolane2-[Diethoxyphosphinothioylimino]-1,3-dithiolaneRefChem:460561Cyloone333-29-9Phosphoramidothioic acid, 1,3-dithiolan-2-ylidene-, O,O-diethyl esterN-diethoxyphosphinothioyl-1,3-dithiolan-2-imine1,3-Dithiolane, 2-(diethoxyphosphinylimino)-ENT 25,809AC-43064O,O-Diethyl 1,3-dithiolan-2-ylidenephosphoramidothioateAmerican cyanamid CL-43064
Show more names
064ENT 25EI-43064CL 43064AC 43064ENT-25809American cyanamid AC 43
American cyanamid AC 43,064BRN 4804631EI 43064AI3-25809CL-43,064(Diethoxyphosphinothioyl)dithioimidocarbonic acid cyclic ethylene esterorb1697620DTXSID8075388
Database identifiers
- CAS
333-29-9- PubChem CID
- 67625
- DTXSID
DTXSID8075388- Nikkaji
- J4.535G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 35 · 35-37 °C(Solv: hexane (110-54-3))
- Boiling point
- 267 °C · 267°C
- Density
- 1.2874 g/cm3 · 1.2874 g/cm3
- pka
- -4.95 · -4.95±0.20(Predicted)
- EPA Substance Registry System
- 1 · Phosphoramidothioic acid, 1,3-dithiolan-2-ylidene-, O,O-diethyl ester (333-29-9)
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Compound notes
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