1,1'-(Phenylphosphorothioyl)di(butan-1-ol)

HCID 55372

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Basic information

CAS: 85684-37-3
Standard SMILES: CCCC(O)P(=S)(c1ccccc1)C(O)CCC
InChIKey: ZBBDNQRAQNXJMA-UHFFFAOYSA-N
Molecular formula: C14H23O2PS
Average molar mass: 286.37 g/mol
Monoisotopic mass: 286.11563814

Names & identifiers

Preferred name: 1,1'-(Phenylphosphorothioyl)di(butan-1-ol)
IUPAC: 1-[1-hydroxybutyl(phenyl)phosphinothioyl]butan-1-ol

Names & synonyms

85684-37-3DTXSID0010062811,1'-(Phenylphosphorothioyl)di(butan-1-ol)RefChem:1051573DTXCID301433154BRN 50282381,1'-(Phenylphosphinothioylidene)bis(1-butanol)1-BUTANOL, 1,1'-(PHENYLPHOSPHINOTHIOYLIDENE)BIS-

Database identifiers

CAS: 85684-37-3
PubChem CID: 55372
DTXSID: DTXSID001006281

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 261

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