1-(but-1-enyldisulfanyl)but-1-ene

C8H14S2 — CID 54549190

IUPAC1-(but-1-enyldisulfanyl)but-1-ene
SMILESCCC=CSSC=CCC
InChIInChI=1S/C8H14S2/c1-3-5-7-9-10-8-6-4-2/h5-8H,3-4H2,1-2H3
InChIKeyZIRYVKTZFQWFNE-UHFFFAOYSA-N
MW174.33 g/mol
LogP4.22
Rot. Bonds5

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

1-(but-1-enyldisulfanyl)but-1-ene (PubChem CID 54549190) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 1-(but-1-enyldisulfanyl)but-1-ene.

Molecular Properties

Compound Name1-(but-1-enyldisulfanyl)but-1-ene
PubChem CID54549190
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name1-(but-1-enyldisulfanyl)but-1-ene
SMILESCCC=CSSC=CCC
InChIInChI=1S/C8H14S2/c1-3-5-7-9-10-8-6-4-2/h5-8H,3-4H2,1-2H3
InChIKeyZIRYVKTZFQWFNE-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 54.22
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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Related Compounds

Allyl propyl disulfide
CID 16591
Allyl methyl disulfide
CID 62434
Methylallyl trisulfide
CID 61926
Allyl propyl trisulfide
CID 525330
Propenyl propyl disulfide
CID 5352908
(E)-1-Propenyl 2-propenyl disulfide
CID 5352855
1-(Methylthio)-1-butene, (1E)-
CID 5368103
Methyl prop-1-enyl disulphide
CID 6164465
Methyl propenyl disulfide
CID 5366552
Trisulfide, methyl 1-propenyl
CID 5352690
Npc247380
CID 5352907
1-Methyl-3-(prop-1-EN-1-YL)trisulfane
CID 528712

Frequently Asked Questions

What is the IUPAC name of 1-(but-1-enyldisulfanyl)but-1-ene?
The IUPAC name of 1-(but-1-enyldisulfanyl)but-1-ene (CID 54549190) is 1-(but-1-enyldisulfanyl)but-1-ene.
What is the SMILES notation for 1-(but-1-enyldisulfanyl)but-1-ene?
The canonical SMILES for 1-(but-1-enyldisulfanyl)but-1-ene is CCC=CSSC=CCC.
What is the InChIKey of 1-(but-1-enyldisulfanyl)but-1-ene?
The InChIKey is ZIRYVKTZFQWFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-3-5-7-9-10-8-6-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(but-1-enyldisulfanyl)but-1-ene?
1-(but-1-enyldisulfanyl)but-1-ene has a molecular weight of 174.33 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-1-enyldisulfanyl)but-1-ene is sourced from PubChem (CID 54549190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).