Basic information
- CAS
2797-57-1- Standard SMILES
CCCCSP(SCCCC)c1ccccc1- InChIKey
OHDSYKQHWOTQDQ-UHFFFAOYSA-N- Molecular formula
- C14H23PS2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.09788008
Names & identifiers
- Preferred name
- Phosphonodithious acid, phenyl-, dibutyl ester
- IUPAC
- bis(butylsulfanyl)-phenylphosphane
- English name
- Phenylphosphonodithious acid dibutyl ester
- Molecular formula
- C14H23PS2
- Molecular weight
- 286.44
Names & synonyms
Phenylphosphonodithious acid dibutyl esterPhosphonodithious acid, phenyl-, dibutyl esterDi-n-butyl phenylphosphonodithioiteBRN 27289012797-57-1DTXSID50182244RefChem:370698DTXCID60104735Dibutyl phenylphosphonodithioitePhosphonodithious acid, phenyl-, dibutyl ester (7CI,8CI,9CI)
Database identifiers
- CAS
2797-57-1- PubChem CID
- 200832
- DTXSID
DTXSID50182244- Nikkaji
- J92.145I
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 173 · 173-176 °C(Press: 4 Torr)
- Density
- 1.051 g/cm3 · 1.051 g/cm3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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