1-methylsulfanylethylidenephosphane

C3H7PS — CID 145460799

IUPAC1-methylsulfanylethylidenephosphane
SMILES[H]/P=C(\C)SC
InChIInChI=1S/C3H7PS/c1-3(4)5-2/h4H,1-2H3
InChIKeyZPSSEBBTAMVWSQ-UHFFFAOYSA-N
MW106.13 g/mol
LogP1.64
Rot. Bonds1

About 1-methylsulfanylethylidenephosphane

1-methylsulfanylethylidenephosphane (PubChem CID 145460799) has the molecular formula C3H7PS and a molecular weight of 106.13 g/mol. Its IUPAC name is 1-methylsulfanylethylidenephosphane.

Molecular Properties

Compound Name1-methylsulfanylethylidenephosphane
PubChem CID145460799
Molecular FormulaC3H7PS
Molecular Weight106.13 g/mol
Exact Mass106.00
IUPAC Name1-methylsulfanylethylidenephosphane
SMILES[H]/P=C(\C)SC
InChIInChI=1S/C3H7PS/c1-3(4)5-2/h4H,1-2H3
InChIKeyZPSSEBBTAMVWSQ-UHFFFAOYSA-N
XLogP1.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.64
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-methylsulfanylethylidenephosphane?
The IUPAC name of 1-methylsulfanylethylidenephosphane (CID 145460799) is 1-methylsulfanylethylidenephosphane.
What is the SMILES notation for 1-methylsulfanylethylidenephosphane?
The canonical SMILES for 1-methylsulfanylethylidenephosphane is [H]/P=C(\C)SC.
What is the InChIKey of 1-methylsulfanylethylidenephosphane?
The InChIKey is ZPSSEBBTAMVWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7PS/c1-3(4)5-2/h4H,1-2H3.
What are the key properties of 1-methylsulfanylethylidenephosphane?
1-methylsulfanylethylidenephosphane has a molecular weight of 106.13 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylethylidenephosphane is sourced from PubChem (CID 145460799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).