4-(but-3-enyldisulfanyl)but-1-ene

C8H14S2 — CID 71393173

IUPAC4-(but-3-enyldisulfanyl)but-1-ene
SMILESC=CCCSSCCC=C
InChIInChI=1S/C8H14S2/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-8H2
InChIKeyYNGAZVITLVHOBL-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.52
Rot. Bonds7

About 4-(but-3-enyldisulfanyl)but-1-ene

4-(but-3-enyldisulfanyl)but-1-ene (PubChem CID 71393173) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 4-(but-3-enyldisulfanyl)but-1-ene.

Molecular Properties

Compound Name4-(but-3-enyldisulfanyl)but-1-ene
PubChem CID71393173
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name4-(but-3-enyldisulfanyl)but-1-ene
SMILESC=CCCSSCCC=C
InChIInChI=1S/C8H14S2/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-8H2
InChIKeyYNGAZVITLVHOBL-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.52
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(but-3-enyldisulfanyl)but-1-ene?
The IUPAC name of 4-(but-3-enyldisulfanyl)but-1-ene (CID 71393173) is 4-(but-3-enyldisulfanyl)but-1-ene.
What is the SMILES notation for 4-(but-3-enyldisulfanyl)but-1-ene?
The canonical SMILES for 4-(but-3-enyldisulfanyl)but-1-ene is C=CCCSSCCC=C.
What is the InChIKey of 4-(but-3-enyldisulfanyl)but-1-ene?
The InChIKey is YNGAZVITLVHOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 4-(but-3-enyldisulfanyl)but-1-ene?
4-(but-3-enyldisulfanyl)but-1-ene has a molecular weight of 174.33 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-enyldisulfanyl)but-1-ene is sourced from PubChem (CID 71393173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).