2-methylsulfanylpropylphosphane

C4H11PS — CID 121258801

IUPAC2-methylsulfanylpropylphosphane
SMILESCSC(C)CP
InChIInChI=1S/C4H11PS/c1-4(3-5)6-2/h4H,3,5H2,1-2H3
InChIKeyYOOVSLQPXJLOBU-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.61
Rot. Bonds2

About 2-methylsulfanylpropylphosphane

2-methylsulfanylpropylphosphane (PubChem CID 121258801) has the molecular formula C4H11PS and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-methylsulfanylpropylphosphane.

Molecular Properties

Compound Name2-methylsulfanylpropylphosphane
PubChem CID121258801
Molecular FormulaC4H11PS
Molecular Weight122.17 g/mol
Exact Mass122.03
IUPAC Name2-methylsulfanylpropylphosphane
SMILESCSC(C)CP
InChIInChI=1S/C4H11PS/c1-4(3-5)6-2/h4H,3,5H2,1-2H3
InChIKeyYOOVSLQPXJLOBU-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
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 2-methylsulfanylpropylphosphane?
The IUPAC name of 2-methylsulfanylpropylphosphane (CID 121258801) is 2-methylsulfanylpropylphosphane.
What is the SMILES notation for 2-methylsulfanylpropylphosphane?
The canonical SMILES for 2-methylsulfanylpropylphosphane is CSC(C)CP.
What is the InChIKey of 2-methylsulfanylpropylphosphane?
The InChIKey is YOOVSLQPXJLOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11PS/c1-4(3-5)6-2/h4H,3,5H2,1-2H3.
What are the key properties of 2-methylsulfanylpropylphosphane?
2-methylsulfanylpropylphosphane has a molecular weight of 122.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpropylphosphane is sourced from PubChem (CID 121258801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).