dimethyl(propylsulfanyl)phosphane

C5H13PS — CID 12643076

IUPACdimethyl(propylsulfanyl)phosphane
SMILESCCCSP(C)C
InChIInChI=1S/C5H13PS/c1-4-5-7-6(2)3/h4-5H2,1-3H3
InChIKeySPNBWJKEWRYJEA-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.79
Rot. Bonds3

About dimethyl(propylsulfanyl)phosphane

dimethyl(propylsulfanyl)phosphane (PubChem CID 12643076) has the molecular formula C5H13PS and a molecular weight of 136.20 g/mol. Its IUPAC name is dimethyl(propylsulfanyl)phosphane.

Molecular Properties

Compound Namedimethyl(propylsulfanyl)phosphane
PubChem CID12643076
Molecular FormulaC5H13PS
Molecular Weight136.20 g/mol
Exact Mass136.05
IUPAC Namedimethyl(propylsulfanyl)phosphane
SMILESCCCSP(C)C
InChIInChI=1S/C5H13PS/c1-4-5-7-6(2)3/h4-5H2,1-3H3
InChIKeySPNBWJKEWRYJEA-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
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 dimethyl(propylsulfanyl)phosphane?
The IUPAC name of dimethyl(propylsulfanyl)phosphane (CID 12643076) is dimethyl(propylsulfanyl)phosphane.
What is the SMILES notation for dimethyl(propylsulfanyl)phosphane?
The canonical SMILES for dimethyl(propylsulfanyl)phosphane is CCCSP(C)C.
What is the InChIKey of dimethyl(propylsulfanyl)phosphane?
The InChIKey is SPNBWJKEWRYJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13PS/c1-4-5-7-6(2)3/h4-5H2,1-3H3.
What are the key properties of dimethyl(propylsulfanyl)phosphane?
dimethyl(propylsulfanyl)phosphane has a molecular weight of 136.20 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(propylsulfanyl)phosphane is sourced from PubChem (CID 12643076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).