diethyl-octyl-sulfanylidene-λ5-phosphane

C12H27PS — CID 23415945

IUPACdiethyl-octyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCP(=S)(CC)CC
InChIInChI=1S/C12H27PS/c1-4-7-8-9-10-11-12-13(14,5-2)6-3/h4-12H2,1-3H3
InChIKeyGNCLHARFQIELAL-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.87
Rot. Bonds9

About diethyl-octyl-sulfanylidene-λ5-phosphane

diethyl-octyl-sulfanylidene-λ5-phosphane (PubChem CID 23415945) has the molecular formula C12H27PS and a molecular weight of 234.39 g/mol. Its IUPAC name is diethyl-octyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethyl-octyl-sulfanylidene-λ5-phosphane
PubChem CID23415945
Molecular FormulaC12H27PS
Molecular Weight234.39 g/mol
Exact Mass234.16
IUPAC Namediethyl-octyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCP(=S)(CC)CC
InChIInChI=1S/C12H27PS/c1-4-7-8-9-10-11-12-13(14,5-2)6-3/h4-12H2,1-3H3
InChIKeyGNCLHARFQIELAL-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze diethyl-octyl-sulfanylidene-λ5-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 diethyl-octyl-sulfanylidene-λ5-phosphane?
The IUPAC name of diethyl-octyl-sulfanylidene-λ5-phosphane (CID 23415945) is diethyl-octyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethyl-octyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethyl-octyl-sulfanylidene-λ5-phosphane is CCCCCCCCP(=S)(CC)CC.
What is the InChIKey of diethyl-octyl-sulfanylidene-λ5-phosphane?
The InChIKey is GNCLHARFQIELAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27PS/c1-4-7-8-9-10-11-12-13(14,5-2)6-3/h4-12H2,1-3H3.
What are the key properties of diethyl-octyl-sulfanylidene-λ5-phosphane?
diethyl-octyl-sulfanylidene-λ5-phosphane has a molecular weight of 234.39 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-octyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23415945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).