2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane

C19H23OPS — CID 11078042

IUPAC2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane
SMILESc1ccc(P(CCSC2CCCCO2)c2ccccc2)cc1
InChIInChI=1S/C19H23OPS/c1-3-9-17(10-4-1)21(18-11-5-2-6-12-18)15-16-22-19-13-7-8-14-20-19/h1-6,9-12,19H,7-8,13-16H2
InChIKeyHSEKGAOFCVEIKD-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.38
Rot. Bonds6

About 2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane

2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane (PubChem CID 11078042) has the molecular formula C19H23OPS and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane.

Molecular Properties

Compound Name2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane
PubChem CID11078042
Molecular FormulaC19H23OPS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane
SMILESc1ccc(P(CCSC2CCCCO2)c2ccccc2)cc1
InChIInChI=1S/C19H23OPS/c1-3-9-17(10-4-1)21(18-11-5-2-6-12-18)15-16-22-19-13-7-8-14-20-19/h1-6,9-12,19H,7-8,13-16H2
InChIKeyHSEKGAOFCVEIKD-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane 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-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane?
The IUPAC name of 2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane (CID 11078042) is 2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane.
What is the SMILES notation for 2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane?
The canonical SMILES for 2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane is c1ccc(P(CCSC2CCCCO2)c2ccccc2)cc1.
What is the InChIKey of 2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane?
The InChIKey is HSEKGAOFCVEIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23OPS/c1-3-9-17(10-4-1)21(18-11-5-2-6-12-18)15-16-22-19-13-7-8-14-20-19/h1-6,9-12,19H,7-8,13-16H2.
What are the key properties of 2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane?
2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane has a molecular weight of 330.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylsulfanyl)ethyl-diphenylphosphane is sourced from PubChem (CID 11078042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).