[phenyl(phenylsulfanylmethyl)phosphoryl]benzene

C19H17OPS — CID 11001867

IUPAC[phenyl(phenylsulfanylmethyl)phosphoryl]benzene
SMILESO=P(CSc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17OPS/c20-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-22-19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyFSHUUGJBSQZQGW-UHFFFAOYSA-N
MW324.39 g/mol
LogP4.75
Rot. Bonds5

About [phenyl(phenylsulfanylmethyl)phosphoryl]benzene

[phenyl(phenylsulfanylmethyl)phosphoryl]benzene (PubChem CID 11001867) has the molecular formula C19H17OPS and a molecular weight of 324.39 g/mol. Its IUPAC name is [phenyl(phenylsulfanylmethyl)phosphoryl]benzene.

Molecular Properties

Compound Name[phenyl(phenylsulfanylmethyl)phosphoryl]benzene
PubChem CID11001867
Molecular FormulaC19H17OPS
Molecular Weight324.39 g/mol
Exact Mass324.07
IUPAC Name[phenyl(phenylsulfanylmethyl)phosphoryl]benzene
SMILESO=P(CSc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17OPS/c20-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-22-19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyFSHUUGJBSQZQGW-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Phosphine, tris(p-methylthiophenyl)-
CID 207408
Tris(phenylthio)methane
CID 615706
Triphenylsulfonium chloride
CID 61343
Phosphine, tris(2-(methylthio)phenyl)-
CID 398155
1,1,3-Tris(phenylthio)-1-propene
CID 4048974
Methyl (2-thiophenoxyethyl)-phenylphosphine oxide
CID 365464
Triphenylsulfonium
CID 61344
(Phenylthio)methyltriphenylphosphonium Chloride
CID 11080318
[2-(Methylsulfanyl)phenyl](diphenyl)phosphane
CID 329211
Phosphine sulfide, tris(p-methylthiophenyl)-
CID 3057410
Triphenylsulfonium Bromide
CID 11984010
((1,3-Bis(phenylthio)propyl)thio)benzene
CID 321322

Frequently Asked Questions

What is the IUPAC name of [phenyl(phenylsulfanylmethyl)phosphoryl]benzene?
The IUPAC name of [phenyl(phenylsulfanylmethyl)phosphoryl]benzene (CID 11001867) is [phenyl(phenylsulfanylmethyl)phosphoryl]benzene.
What is the SMILES notation for [phenyl(phenylsulfanylmethyl)phosphoryl]benzene?
The canonical SMILES for [phenyl(phenylsulfanylmethyl)phosphoryl]benzene is O=P(CSc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl(phenylsulfanylmethyl)phosphoryl]benzene?
The InChIKey is FSHUUGJBSQZQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17OPS/c20-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-22-19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of [phenyl(phenylsulfanylmethyl)phosphoryl]benzene?
[phenyl(phenylsulfanylmethyl)phosphoryl]benzene has a molecular weight of 324.39 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(phenylsulfanylmethyl)phosphoryl]benzene is sourced from PubChem (CID 11001867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).