2-benzylsulfanylbutyl(diphenyl)phosphane

C23H25PS — CID 71421718

IUPAC2-benzylsulfanylbutyl(diphenyl)phosphane
SMILESCCC(CP(c1ccccc1)c1ccccc1)SCc1ccccc1
InChIInChI=1S/C23H25PS/c1-2-23(25-19-20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,2,18-19H2,1H3
InChIKeyJLDGJWRHRYQBFL-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.83
Rot. Bonds8

About 2-benzylsulfanylbutyl(diphenyl)phosphane

2-benzylsulfanylbutyl(diphenyl)phosphane (PubChem CID 71421718) has the molecular formula C23H25PS and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-benzylsulfanylbutyl(diphenyl)phosphane.

Molecular Properties

Compound Name2-benzylsulfanylbutyl(diphenyl)phosphane
PubChem CID71421718
Molecular FormulaC23H25PS
Molecular Weight364.49 g/mol
Exact Mass364.14
IUPAC Name2-benzylsulfanylbutyl(diphenyl)phosphane
SMILESCCC(CP(c1ccccc1)c1ccccc1)SCc1ccccc1
InChIInChI=1S/C23H25PS/c1-2-23(25-19-20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,2,18-19H2,1H3
InChIKeyJLDGJWRHRYQBFL-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-benzylsulfanylbutyl(diphenyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanylbutyl(diphenyl)phosphane?
The IUPAC name of 2-benzylsulfanylbutyl(diphenyl)phosphane (CID 71421718) is 2-benzylsulfanylbutyl(diphenyl)phosphane.
What is the SMILES notation for 2-benzylsulfanylbutyl(diphenyl)phosphane?
The canonical SMILES for 2-benzylsulfanylbutyl(diphenyl)phosphane is CCC(CP(c1ccccc1)c1ccccc1)SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanylbutyl(diphenyl)phosphane?
The InChIKey is JLDGJWRHRYQBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25PS/c1-2-23(25-19-20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,2,18-19H2,1H3.
What are the key properties of 2-benzylsulfanylbutyl(diphenyl)phosphane?
2-benzylsulfanylbutyl(diphenyl)phosphane has a molecular weight of 364.49 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanylbutyl(diphenyl)phosphane is sourced from PubChem (CID 71421718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).