tert-butylsulfinylphosphane

C4H11OPS — CID 123447995

IUPACtert-butylsulfinylphosphane
SMILESCC(C)(C)S(=O)P
InChIInChI=1S/C4H11OPS/c1-4(2,3)7(5)6/h6H2,1-3H3
InChIKeyYRSBBLUVSUBTKM-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.32
Rot. Bonds

About tert-butylsulfinylphosphane

tert-butylsulfinylphosphane (PubChem CID 123447995) has the molecular formula C4H11OPS and a molecular weight of 138.17 g/mol. Its IUPAC name is tert-butylsulfinylphosphane.

Molecular Properties

Compound Nametert-butylsulfinylphosphane
PubChem CID123447995
Molecular FormulaC4H11OPS
Molecular Weight138.17 g/mol
Exact Mass138.03
IUPAC Nametert-butylsulfinylphosphane
SMILESCC(C)(C)S(=O)P
InChIInChI=1S/C4H11OPS/c1-4(2,3)7(5)6/h6H2,1-3H3
InChIKeyYRSBBLUVSUBTKM-UHFFFAOYSA-N
XLogP1.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butylsulfinylphosphane 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 tert-butylsulfinylphosphane?
The IUPAC name of tert-butylsulfinylphosphane (CID 123447995) is tert-butylsulfinylphosphane.
What is the SMILES notation for tert-butylsulfinylphosphane?
The canonical SMILES for tert-butylsulfinylphosphane is CC(C)(C)S(=O)P.
What is the InChIKey of tert-butylsulfinylphosphane?
The InChIKey is YRSBBLUVSUBTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11OPS/c1-4(2,3)7(5)6/h6H2,1-3H3.
What are the key properties of tert-butylsulfinylphosphane?
tert-butylsulfinylphosphane has a molecular weight of 138.17 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfinylphosphane is sourced from PubChem (CID 123447995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).