Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester
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Basic information
- CAS
953-32-2- Standard SMILES
CCOP(=S)(OCC)Sc1ccc(C)cc1- InChIKey
QLCGYBKCWYULKB-UHFFFAOYSA-N- Molecular formula
- C11H17O2PS2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.04075913
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester
- IUPAC
- diethoxy-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane
- English name
- Phosphorodithioic acid O,O-diethyl S-(p-tolyl) ester
- Molecular formula
- C11H17O2PS2
- Molecular weight
- 0
Names & synonyms
BRN 2118451Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) esterO,O-Diethyl S-(p-tolyl) phosphorodithioate953-32-2DTXSID902418044-06-00-02208 (Beilstein Handbook Reference)RefChem:371135DTXCID80164295O,O-diethyl S-(4-methylphenyl) phosphorodithioatePhosphorodithioic acid O,O-diethyl S-(p-tolyl) esterdithiophosphoric acid O,O'-diethyl ester-S-p-tolyl ester
Database identifiers
- CAS
953-32-2- PubChem CID
- 70377
- DTXSID
DTXSID90241804- Nikkaji
- J50.437H
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
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Compound notes
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