O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate
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Basic information
- CAS
38188-83-9- Standard SMILES
CCOP(=S)(OCC)SC1COCCS1- InChIKey
DSSLOYDITKYOCI-UHFFFAOYSA-N- Molecular formula
- C8H17O3PS3
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.00774492
Names & identifiers
- Preferred name
- O,O-Diethyl S-1,4-oxathian-3-yl phosphorodithioate
- IUPAC
- diethoxy-(1,4-oxathian-3-ylsulfanyl)-sulfanylidene-λ5-phosphane
- English name
- O,O-Diethyl S-(1,4-oxathian-3-yl) =phosphorodithioate
- Molecular formula
- C8H17O3PS3
- Molecular weight
- 288.39
Names & synonyms
38188-83-9o,o-diethyl s-1,4-oxathian-3-yl phosphorodithioateDTXSID90959114RefChem:1093505DTXCID001387003Hercules 2032BRN 1313961ENT 24,399AI3-24399Phosphorodithioic acid, O,O-diethyl S-1,4-oxathian-3-yl ester5-19-02-00338 (Beilstein Handbook Reference)Phosphorodithioic acid, O,O-diethyl S-1,4-oxathiolan-3-yl ester
Show more names
ENT-24399Hercules-2032O,O-Diethyl S-(1,4-oxathian-3-yl) =phosphorodithioatePhosphorodithioic acid, O,O-diethyl S-1,4-oxathian-3-yl ester (9CI)dithiophosphoric acid O,O'-diethyl ester S-[1,4]oxathian-3-yl ester
O,O-Diethyl S-(1,4-oxathian-3-yl) phosphorodithioate
Database identifiers
- CAS
38188-83-9- PubChem CID
- 217157
- DTXSID
DTXSID90959114- Nikkaji
- J53.806J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
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Compound notes
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