ethenyl-dimethyl-sulfanylidene-λ5-phosphane

C4H9PS — CID 23271250

IUPACethenyl-dimethyl-sulfanylidene-λ5-phosphane
SMILESC=CP(C)(C)=S
InChIInChI=1S/C4H9PS/c1-4-5(2,3)6/h4H,1H2,2-3H3
InChIKeyNXUGOAAFCCSBII-UHFFFAOYSA-N
MW120.16 g/mol
LogP1.87
Rot. Bonds1

About ethenyl-dimethyl-sulfanylidene-λ5-phosphane

ethenyl-dimethyl-sulfanylidene-λ5-phosphane (PubChem CID 23271250) has the molecular formula C4H9PS and a molecular weight of 120.16 g/mol. Its IUPAC name is ethenyl-dimethyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethenyl-dimethyl-sulfanylidene-λ5-phosphane
PubChem CID23271250
Molecular FormulaC4H9PS
Molecular Weight120.16 g/mol
Exact Mass120.02
IUPAC Nameethenyl-dimethyl-sulfanylidene-λ5-phosphane
SMILESC=CP(C)(C)=S
InChIInChI=1S/C4H9PS/c1-4-5(2,3)6/h4H,1H2,2-3H3
InChIKeyNXUGOAAFCCSBII-UHFFFAOYSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.16
LogP ≤ 51.87
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 ethenyl-dimethyl-sulfanylidene-λ5-phosphane?
The IUPAC name of ethenyl-dimethyl-sulfanylidene-λ5-phosphane (CID 23271250) is ethenyl-dimethyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethenyl-dimethyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethenyl-dimethyl-sulfanylidene-λ5-phosphane is C=CP(C)(C)=S.
What is the InChIKey of ethenyl-dimethyl-sulfanylidene-λ5-phosphane?
The InChIKey is NXUGOAAFCCSBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9PS/c1-4-5(2,3)6/h4H,1H2,2-3H3.
What are the key properties of ethenyl-dimethyl-sulfanylidene-λ5-phosphane?
ethenyl-dimethyl-sulfanylidene-λ5-phosphane has a molecular weight of 120.16 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-dimethyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23271250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).