1-ethylsulfanylethylphosphane

C4H11PS — CID 88543538

IUPAC1-ethylsulfanylethylphosphane
SMILESCCSC(C)P
InChIInChI=1S/C4H11PS/c1-3-6-4(2)5/h4H,3,5H2,1-2H3
InChIKeyVNDMUVKBRZIZHI-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.96
Rot. Bonds2

About 1-ethylsulfanylethylphosphane

1-ethylsulfanylethylphosphane (PubChem CID 88543538) has the molecular formula C4H11PS and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-ethylsulfanylethylphosphane.

Molecular Properties

Compound Name1-ethylsulfanylethylphosphane
PubChem CID88543538
Molecular FormulaC4H11PS
Molecular Weight122.17 g/mol
Exact Mass122.03
IUPAC Name1-ethylsulfanylethylphosphane
SMILESCCSC(C)P
InChIInChI=1S/C4H11PS/c1-3-6-4(2)5/h4H,3,5H2,1-2H3
InChIKeyVNDMUVKBRZIZHI-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethylsulfanylethylphosphane 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 1-ethylsulfanylethylphosphane?
The IUPAC name of 1-ethylsulfanylethylphosphane (CID 88543538) is 1-ethylsulfanylethylphosphane.
What is the SMILES notation for 1-ethylsulfanylethylphosphane?
The canonical SMILES for 1-ethylsulfanylethylphosphane is CCSC(C)P.
What is the InChIKey of 1-ethylsulfanylethylphosphane?
The InChIKey is VNDMUVKBRZIZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11PS/c1-3-6-4(2)5/h4H,3,5H2,1-2H3.
What are the key properties of 1-ethylsulfanylethylphosphane?
1-ethylsulfanylethylphosphane has a molecular weight of 122.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylethylphosphane is sourced from PubChem (CID 88543538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).