1-(ethyldisulfanyl)-2-methylpropane

C6H14S2 — CID 520981

IUPAC1-(ethyldisulfanyl)-2-methylpropane
SMILESCCSSCC(C)C
InChIInChI=1S/C6H14S2/c1-4-7-8-5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyUMASWDYQHOTZKK-UHFFFAOYSA-N
MW150.31 g/mol
LogP3.04
Rot. Bonds4

About 1-(ethyldisulfanyl)-2-methylpropane

1-(ethyldisulfanyl)-2-methylpropane (PubChem CID 520981) has the molecular formula C6H14S2 and a molecular weight of 150.31 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)-2-methylpropane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)-2-methylpropane
PubChem CID520981
Molecular FormulaC6H14S2
Molecular Weight150.31 g/mol
Exact Mass150.05
IUPAC Name1-(ethyldisulfanyl)-2-methylpropane
SMILESCCSSCC(C)C
InChIInChI=1S/C6H14S2/c1-4-7-8-5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyUMASWDYQHOTZKK-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(ethyldisulfanyl)-2-methylpropane?
The IUPAC name of 1-(ethyldisulfanyl)-2-methylpropane (CID 520981) is 1-(ethyldisulfanyl)-2-methylpropane.
What is the SMILES notation for 1-(ethyldisulfanyl)-2-methylpropane?
The canonical SMILES for 1-(ethyldisulfanyl)-2-methylpropane is CCSSCC(C)C.
What is the InChIKey of 1-(ethyldisulfanyl)-2-methylpropane?
The InChIKey is UMASWDYQHOTZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2/c1-4-7-8-5-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-(ethyldisulfanyl)-2-methylpropane?
1-(ethyldisulfanyl)-2-methylpropane has a molecular weight of 150.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)-2-methylpropane is sourced from PubChem (CID 520981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).