2-ethylsulfanylethylphosphane

C4H11PS — CID 123717696

IUPAC2-ethylsulfanylethylphosphane
SMILESCCSCCP
InChIInChI=1S/C4H11PS/c1-2-6-4-3-5/h2-5H2,1H3
InChIKeyZKXCFBKZCCSVHP-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.61
Rot. Bonds3

About 2-ethylsulfanylethylphosphane

2-ethylsulfanylethylphosphane (PubChem CID 123717696) has the molecular formula C4H11PS and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-ethylsulfanylethylphosphane.

Molecular Properties

Compound Name2-ethylsulfanylethylphosphane
PubChem CID123717696
Molecular FormulaC4H11PS
Molecular Weight122.17 g/mol
Exact Mass122.03
IUPAC Name2-ethylsulfanylethylphosphane
SMILESCCSCCP
InChIInChI=1S/C4H11PS/c1-2-6-4-3-5/h2-5H2,1H3
InChIKeyZKXCFBKZCCSVHP-UHFFFAOYSA-N
XLogP1.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.61
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethylphosphane?
The IUPAC name of 2-ethylsulfanylethylphosphane (CID 123717696) is 2-ethylsulfanylethylphosphane.
What is the SMILES notation for 2-ethylsulfanylethylphosphane?
The canonical SMILES for 2-ethylsulfanylethylphosphane is CCSCCP.
What is the InChIKey of 2-ethylsulfanylethylphosphane?
The InChIKey is ZKXCFBKZCCSVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11PS/c1-2-6-4-3-5/h2-5H2,1H3.
What are the key properties of 2-ethylsulfanylethylphosphane?
2-ethylsulfanylethylphosphane has a molecular weight of 122.17 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethylphosphane is sourced from PubChem (CID 123717696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).