[methyl(propyl)-λ4-sulfanylidene]phosphane

C4H11PS — CID 59912307

IUPAC[methyl(propyl)-λ4-sulfanylidene]phosphane
SMILES[H]/P=S(\C)CCC
InChIInChI=1S/C4H11PS/c1-3-4-6(2)5/h5H,3-4H2,1-2H3
InChIKeyRRGWTXKKKFSGQG-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.70
Rot. Bonds2

About [methyl(propyl)-λ4-sulfanylidene]phosphane

[methyl(propyl)-λ4-sulfanylidene]phosphane (PubChem CID 59912307) has the molecular formula C4H11PS and a molecular weight of 122.17 g/mol. Its IUPAC name is [methyl(propyl)-λ4-sulfanylidene]phosphane.

Molecular Properties

Compound Name[methyl(propyl)-λ4-sulfanylidene]phosphane
PubChem CID59912307
Molecular FormulaC4H11PS
Molecular Weight122.17 g/mol
Exact Mass122.03
IUPAC Name[methyl(propyl)-λ4-sulfanylidene]phosphane
SMILES[H]/P=S(\C)CCC
InChIInChI=1S/C4H11PS/c1-3-4-6(2)5/h5H,3-4H2,1-2H3
InChIKeyRRGWTXKKKFSGQG-UHFFFAOYSA-N
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [methyl(propyl)-λ4-sulfanylidene]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 [methyl(propyl)-λ4-sulfanylidene]phosphane?
The IUPAC name of [methyl(propyl)-λ4-sulfanylidene]phosphane (CID 59912307) is [methyl(propyl)-λ4-sulfanylidene]phosphane.
What is the SMILES notation for [methyl(propyl)-λ4-sulfanylidene]phosphane?
The canonical SMILES for [methyl(propyl)-λ4-sulfanylidene]phosphane is [H]/P=S(\C)CCC.
What is the InChIKey of [methyl(propyl)-λ4-sulfanylidene]phosphane?
The InChIKey is RRGWTXKKKFSGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11PS/c1-3-4-6(2)5/h5H,3-4H2,1-2H3.
What are the key properties of [methyl(propyl)-λ4-sulfanylidene]phosphane?
[methyl(propyl)-λ4-sulfanylidene]phosphane has a molecular weight of 122.17 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(propyl)-λ4-sulfanylidene]phosphane is sourced from PubChem (CID 59912307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).