1-methylsulfanylpropane;1-(propyldisulfanyl)propane

C10H24S3 — CID 159477892

IUPAC1-methylsulfanylpropane;1-(propyldisulfanyl)propane
SMILESCCCSC.CCCSSCCC
InChIInChI=1S/C6H14S2.C4H10S/c1-3-5-7-8-6-4-2;1-3-4-5-2/h3-6H2,1-2H3;3-4H2,1-2H3
InChIKeyLWPUCOGPCACAOT-UHFFFAOYSA-N
MW240.50 g/mol
LogP4.95
Rot. Bonds7

About 1-methylsulfanylpropane;1-(propyldisulfanyl)propane

1-methylsulfanylpropane;1-(propyldisulfanyl)propane (PubChem CID 159477892) has the molecular formula C10H24S3 and a molecular weight of 240.50 g/mol. Its IUPAC name is 1-methylsulfanylpropane;1-(propyldisulfanyl)propane.

Molecular Properties

Compound Name1-methylsulfanylpropane;1-(propyldisulfanyl)propane
PubChem CID159477892
Molecular FormulaC10H24S3
Molecular Weight240.50 g/mol
Exact Mass240.10
IUPAC Name1-methylsulfanylpropane;1-(propyldisulfanyl)propane
SMILESCCCSC.CCCSSCCC
InChIInChI=1S/C6H14S2.C4H10S/c1-3-5-7-8-6-4-2;1-3-4-5-2/h3-6H2,1-2H3;3-4H2,1-2H3
InChIKeyLWPUCOGPCACAOT-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methanamine;1-methylsulfanylpropane
CID 143338871
1-(methyldisulfanyl)propane
CID 16592
oxomolybdenum;1-(propyldisulfanyl)propane
CID 174771209
dimethoxymethane;methane;1-methylsulfanylpropane
CID 159739750
2-(propyldisulfanyl)ethanol
CID 11977395
1,2-dideuterio-2-(propyldisulfanyl)ethanamine
CID 164969491
1-(propylheptasulfanyl)propane
CID 14123249
3-methylbutan-1-amine;1-methylsulfanylpropane
CID 88778818
ethylsilane;1-(propyltetrasulfanyl)propane
CID 175318945
zinc;hydrogen phosphate;1-(propyldisulfanyl)propane
CID 174694576
methane;1-methylsulfanyloctadecane
CID 167697996
1-[(propyldisulfanyl)methyl]dithiiran-1-ium
CID 172693391

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylpropane;1-(propyldisulfanyl)propane?
The IUPAC name of 1-methylsulfanylpropane;1-(propyldisulfanyl)propane (CID 159477892) is 1-methylsulfanylpropane;1-(propyldisulfanyl)propane.
What is the SMILES notation for 1-methylsulfanylpropane;1-(propyldisulfanyl)propane?
The canonical SMILES for 1-methylsulfanylpropane;1-(propyldisulfanyl)propane is CCCSC.CCCSSCCC.
What is the InChIKey of 1-methylsulfanylpropane;1-(propyldisulfanyl)propane?
The InChIKey is LWPUCOGPCACAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2.C4H10S/c1-3-5-7-8-6-4-2;1-3-4-5-2/h3-6H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1-methylsulfanylpropane;1-(propyldisulfanyl)propane?
1-methylsulfanylpropane;1-(propyldisulfanyl)propane has a molecular weight of 240.50 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylpropane;1-(propyldisulfanyl)propane is sourced from PubChem (CID 159477892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).