3-methylsulfanylpropylidenephosphane

C4H9PS — CID 89278906

IUPAC3-methylsulfanylpropylidenephosphane
SMILES[H]/P=C/CCSC
InChIInChI=1S/C4H9PS/c1-6-4-2-3-5/h3,5H,2,4H2,1H3
InChIKeyVAECFFWYQMIGPU-UHFFFAOYSA-N
MW120.16 g/mol
LogP1.68
Rot. Bonds3

About 3-methylsulfanylpropylidenephosphane

3-methylsulfanylpropylidenephosphane (PubChem CID 89278906) has the molecular formula C4H9PS and a molecular weight of 120.16 g/mol. Its IUPAC name is 3-methylsulfanylpropylidenephosphane.

Molecular Properties

Compound Name3-methylsulfanylpropylidenephosphane
PubChem CID89278906
Molecular FormulaC4H9PS
Molecular Weight120.16 g/mol
Exact Mass120.02
IUPAC Name3-methylsulfanylpropylidenephosphane
SMILES[H]/P=C/CCSC
InChIInChI=1S/C4H9PS/c1-6-4-2-3-5/h3,5H,2,4H2,1H3
InChIKeyVAECFFWYQMIGPU-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.16
LogP ≤ 51.68
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 3-methylsulfanylpropylidenephosphane?
The IUPAC name of 3-methylsulfanylpropylidenephosphane (CID 89278906) is 3-methylsulfanylpropylidenephosphane.
What is the SMILES notation for 3-methylsulfanylpropylidenephosphane?
The canonical SMILES for 3-methylsulfanylpropylidenephosphane is [H]/P=C/CCSC.
What is the InChIKey of 3-methylsulfanylpropylidenephosphane?
The InChIKey is VAECFFWYQMIGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9PS/c1-6-4-2-3-5/h3,5H,2,4H2,1H3.
What are the key properties of 3-methylsulfanylpropylidenephosphane?
3-methylsulfanylpropylidenephosphane has a molecular weight of 120.16 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylpropylidenephosphane is sourced from PubChem (CID 89278906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).