methyl(propylsulfanyl)phosphane

C4H11PS — CID 155188175

IUPACmethyl(propylsulfanyl)phosphane
SMILESCCCSPC
InChIInChI=1S/C4H11PS/c1-3-4-6-5-2/h5H,3-4H2,1-2H3
InChIKeySQVCSUORSFXWLR-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.35
Rot. Bonds3

About methyl(propylsulfanyl)phosphane

methyl(propylsulfanyl)phosphane (PubChem CID 155188175) has the molecular formula C4H11PS and a molecular weight of 122.17 g/mol. Its IUPAC name is methyl(propylsulfanyl)phosphane.

Molecular Properties

Compound Namemethyl(propylsulfanyl)phosphane
PubChem CID155188175
Molecular FormulaC4H11PS
Molecular Weight122.17 g/mol
Exact Mass122.03
IUPAC Namemethyl(propylsulfanyl)phosphane
SMILESCCCSPC
InChIInChI=1S/C4H11PS/c1-3-4-6-5-2/h5H,3-4H2,1-2H3
InChIKeySQVCSUORSFXWLR-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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 methyl(propylsulfanyl)phosphane?
The IUPAC name of methyl(propylsulfanyl)phosphane (CID 155188175) is methyl(propylsulfanyl)phosphane.
What is the SMILES notation for methyl(propylsulfanyl)phosphane?
The canonical SMILES for methyl(propylsulfanyl)phosphane is CCCSPC.
What is the InChIKey of methyl(propylsulfanyl)phosphane?
The InChIKey is SQVCSUORSFXWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11PS/c1-3-4-6-5-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl(propylsulfanyl)phosphane?
methyl(propylsulfanyl)phosphane has a molecular weight of 122.17 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 methyl(propylsulfanyl)phosphane is sourced from PubChem (CID 155188175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).