2-(propyldisulfanyl)but-2-ene

C7H14S2 — CID 154126940

IUPAC2-(propyldisulfanyl)but-2-ene
SMILESCC=C(C)SSCCC
InChIInChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h5H,4,6H2,1-3H3
InChIKeyXOTFZYZCJFKPHJ-UHFFFAOYSA-N
MW162.32 g/mol
LogP3.70
Rot. Bonds4

About 2-(propyldisulfanyl)but-2-ene

2-(propyldisulfanyl)but-2-ene (PubChem CID 154126940) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is 2-(propyldisulfanyl)but-2-ene.

Molecular Properties

Compound Name2-(propyldisulfanyl)but-2-ene
PubChem CID154126940
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Name2-(propyldisulfanyl)but-2-ene
SMILESCC=C(C)SSCCC
InChIInChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h5H,4,6H2,1-3H3
InChIKeyXOTFZYZCJFKPHJ-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 53.70
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 2-(propyldisulfanyl)but-2-ene?
The IUPAC name of 2-(propyldisulfanyl)but-2-ene (CID 154126940) is 2-(propyldisulfanyl)but-2-ene.
What is the SMILES notation for 2-(propyldisulfanyl)but-2-ene?
The canonical SMILES for 2-(propyldisulfanyl)but-2-ene is CC=C(C)SSCCC.
What is the InChIKey of 2-(propyldisulfanyl)but-2-ene?
The InChIKey is XOTFZYZCJFKPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h5H,4,6H2,1-3H3.
What are the key properties of 2-(propyldisulfanyl)but-2-ene?
2-(propyldisulfanyl)but-2-ene has a molecular weight of 162.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propyldisulfanyl)but-2-ene is sourced from PubChem (CID 154126940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).