dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane

C21H40P2S — CID 170552521

IUPACdibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane
SMILESCCCCP(CCCC)c1csc(C)c1P(CCCC)CCCC
InChIInChI=1S/C21H40P2S/c1-6-10-14-22(15-11-7-2)20-18-24-19(5)21(20)23(16-12-8-3)17-13-9-4/h18H,6-17H2,1-5H3
InChIKeyLVMCTLIQSBFGNJ-UHFFFAOYSA-N
MW386.57 g/mol
LogP7.47
Rot. Bonds14

About dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane

dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane (PubChem CID 170552521) has the molecular formula C21H40P2S and a molecular weight of 386.57 g/mol. Its IUPAC name is dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane.

Molecular Properties

Compound Namedibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane
PubChem CID170552521
Molecular FormulaC21H40P2S
Molecular Weight386.57 g/mol
Exact Mass386.23
IUPAC Namedibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane
SMILESCCCCP(CCCC)c1csc(C)c1P(CCCC)CCCC
InChIInChI=1S/C21H40P2S/c1-6-10-14-22(15-11-7-2)20-18-24-19(5)21(20)23(16-12-8-3)17-13-9-4/h18H,6-17H2,1-5H3
InChIKeyLVMCTLIQSBFGNJ-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.57
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane?
The IUPAC name of dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane (CID 170552521) is dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane.
What is the SMILES notation for dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane?
The canonical SMILES for dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane is CCCCP(CCCC)c1csc(C)c1P(CCCC)CCCC.
What is the InChIKey of dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane?
The InChIKey is LVMCTLIQSBFGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40P2S/c1-6-10-14-22(15-11-7-2)20-18-24-19(5)21(20)23(16-12-8-3)17-13-9-4/h18H,6-17H2,1-5H3.
What are the key properties of dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane?
dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane has a molecular weight of 386.57 g/mol, XLogP of 7.47, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane is sourced from PubChem (CID 170552521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).