dihexyl-(phenyldisulfanyl)phosphane

C18H31PS2 — CID 141103524

IUPACdihexyl-(phenyldisulfanyl)phosphane
SMILESCCCCCCP(CCCCCC)SSc1ccccc1
InChIInChI=1S/C18H31PS2/c1-3-5-7-12-16-19(17-13-8-6-4-2)21-20-18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKeyFVDTWHQVJUEGPY-UHFFFAOYSA-N
MW342.55 g/mol
LogP7.98
Rot. Bonds13

About dihexyl-(phenyldisulfanyl)phosphane

dihexyl-(phenyldisulfanyl)phosphane (PubChem CID 141103524) has the molecular formula C18H31PS2 and a molecular weight of 342.55 g/mol. Its IUPAC name is dihexyl-(phenyldisulfanyl)phosphane.

Molecular Properties

Compound Namedihexyl-(phenyldisulfanyl)phosphane
PubChem CID141103524
Molecular FormulaC18H31PS2
Molecular Weight342.55 g/mol
Exact Mass342.16
IUPAC Namedihexyl-(phenyldisulfanyl)phosphane
SMILESCCCCCCP(CCCCCC)SSc1ccccc1
InChIInChI=1S/C18H31PS2/c1-3-5-7-12-16-19(17-13-8-6-4-2)21-20-18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKeyFVDTWHQVJUEGPY-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.55
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dihexyl-(phenyldisulfanyl)phosphane with MolForge

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

Launch Full Analysis

Related Compounds

didodecoxy(phenylsulfanyl)phosphane
CID 169021421
nickel;octylsulfanylbenzene
CID 157277722
decane;sulfane;toluene
CID 157105742
dipentyl(phenyl)phosphane
CID 3085487
1,1-difluoroheptylsulfanylbenzene
CID 145149391
hexadecyl(phenyl)phosphinous acid
CID 22292084
1,1'-biphenyl;hexadecane
CID 173308514
(8-butyltetradecan-7-yldisulfanyl)benzene
CID 166789211
triethyl-(phenyldisulfanyl)azanium
CID 174730992
(1-octylcyclopropyl)sulfanylbenzene
CID 12950451
bis(heptane);toluene
CID 157306102
benzene;heptane;hexane;toluene
CID 160959480

Frequently Asked Questions

What is the IUPAC name of dihexyl-(phenyldisulfanyl)phosphane?
The IUPAC name of dihexyl-(phenyldisulfanyl)phosphane (CID 141103524) is dihexyl-(phenyldisulfanyl)phosphane.
What is the SMILES notation for dihexyl-(phenyldisulfanyl)phosphane?
The canonical SMILES for dihexyl-(phenyldisulfanyl)phosphane is CCCCCCP(CCCCCC)SSc1ccccc1.
What is the InChIKey of dihexyl-(phenyldisulfanyl)phosphane?
The InChIKey is FVDTWHQVJUEGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31PS2/c1-3-5-7-12-16-19(17-13-8-6-4-2)21-20-18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3.
What are the key properties of dihexyl-(phenyldisulfanyl)phosphane?
dihexyl-(phenyldisulfanyl)phosphane has a molecular weight of 342.55 g/mol, XLogP of 7.98, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl-(phenyldisulfanyl)phosphane is sourced from PubChem (CID 141103524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).