bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane

C13H21PS4 — CID 3097903

IUPACbis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane
SMILESCCSC(c1ccccc1)P(=S)(SCC)SCC
InChIInChI=1S/C13H21PS4/c1-4-16-13(12-10-8-7-9-11-12)14(15,17-5-2)18-6-3/h7-11,13H,4-6H2,1-3H3
InChIKeyJGWLIWKKTIWYAB-UHFFFAOYSA-N
MW336.55 g/mol
LogP6.25
Rot. Bonds8

About bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane

bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane (PubChem CID 3097903) has the molecular formula C13H21PS4 and a molecular weight of 336.55 g/mol. Its IUPAC name is bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane
PubChem CID3097903
Molecular FormulaC13H21PS4
Molecular Weight336.55 g/mol
Exact Mass336.03
IUPAC Namebis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane
SMILESCCSC(c1ccccc1)P(=S)(SCC)SCC
InChIInChI=1S/C13H21PS4/c1-4-16-13(12-10-8-7-9-11-12)14(15,17-5-2)18-6-3/h7-11,13H,4-6H2,1-3H3
InChIKeyJGWLIWKKTIWYAB-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.55
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane?
The IUPAC name of bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane (CID 3097903) is bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane?
The canonical SMILES for bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane is CCSC(c1ccccc1)P(=S)(SCC)SCC.
What is the InChIKey of bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane?
The InChIKey is JGWLIWKKTIWYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21PS4/c1-4-16-13(12-10-8-7-9-11-12)14(15,17-5-2)18-6-3/h7-11,13H,4-6H2,1-3H3.
What are the key properties of bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane?
bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane has a molecular weight of 336.55 g/mol, XLogP of 6.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3097903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).