1-propylsulfanylethylphosphane

C5H13PS — CID 122491283

IUPAC1-propylsulfanylethylphosphane
SMILESCCCSC(C)P
InChIInChI=1S/C5H13PS/c1-3-4-7-5(2)6/h5H,3-4,6H2,1-2H3
InChIKeyVBOILVXAUUUBGZ-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.35
Rot. Bonds3

About 1-propylsulfanylethylphosphane

1-propylsulfanylethylphosphane (PubChem CID 122491283) has the molecular formula C5H13PS and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-propylsulfanylethylphosphane.

Molecular Properties

Compound Name1-propylsulfanylethylphosphane
PubChem CID122491283
Molecular FormulaC5H13PS
Molecular Weight136.20 g/mol
Exact Mass136.05
IUPAC Name1-propylsulfanylethylphosphane
SMILESCCCSC(C)P
InChIInChI=1S/C5H13PS/c1-3-4-7-5(2)6/h5H,3-4,6H2,1-2H3
InChIKeyVBOILVXAUUUBGZ-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfanylethylphosphane?
The IUPAC name of 1-propylsulfanylethylphosphane (CID 122491283) is 1-propylsulfanylethylphosphane.
What is the SMILES notation for 1-propylsulfanylethylphosphane?
The canonical SMILES for 1-propylsulfanylethylphosphane is CCCSC(C)P.
What is the InChIKey of 1-propylsulfanylethylphosphane?
The InChIKey is VBOILVXAUUUBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13PS/c1-3-4-7-5(2)6/h5H,3-4,6H2,1-2H3.
What are the key properties of 1-propylsulfanylethylphosphane?
1-propylsulfanylethylphosphane has a molecular weight of 136.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfanylethylphosphane is sourced from PubChem (CID 122491283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).