Phosphorodithioic acid, S-(diphenylmethyl) O,O-diethyl ester
Basic information
- CAS
3735-04-4- Standard SMILES
CCOP(=S)(OCC)SC(c1ccccc1)c1ccccc1- InChIKey
RSFHNQRYJIIZIN-UHFFFAOYSA-N- Molecular formula
- C17H21O2PS2
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.07205925
Names & identifiers
- Preferred name
- Phosphorodithioic acid, S-(diphenylmethyl) O,O-diethyl ester
- IUPAC
- benzhydrylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
BRN 1996728Phosphorodithioic acid, S-(diphenylmethyl) O,O-diethyl esterS-(Diphenylmethyl) O,O-diethyl phosphorodithioateAI3-256813735-04-4DTXSID60190794RefChem:371209DTXCID00113285S-Diphenylmethyl O,O-diethyl phosphorodithioate
Database identifiers
- CAS
3735-04-4- PubChem CID
- 199128
- DTXSID
DTXSID60190794
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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