2-(prop-1-en-2-yldisulfanyl)but-2-ene

C7H12S2 — CID 123927518

IUPAC2-(prop-1-en-2-yldisulfanyl)but-2-ene
SMILESC=C(C)SSC(C)=CC
InChIInChI=1S/C7H12S2/c1-5-7(4)9-8-6(2)3/h5H,2H2,1,3-4H3
InChIKeyWHSCYAOBXQBXSL-UHFFFAOYSA-N
MW160.31 g/mol
LogP3.83
Rot. Bonds3

About 2-(prop-1-en-2-yldisulfanyl)but-2-ene

2-(prop-1-en-2-yldisulfanyl)but-2-ene (PubChem CID 123927518) has the molecular formula C7H12S2 and a molecular weight of 160.31 g/mol. Its IUPAC name is 2-(prop-1-en-2-yldisulfanyl)but-2-ene.

Molecular Properties

Compound Name2-(prop-1-en-2-yldisulfanyl)but-2-ene
PubChem CID123927518
Molecular FormulaC7H12S2
Molecular Weight160.31 g/mol
Exact Mass160.04
IUPAC Name2-(prop-1-en-2-yldisulfanyl)but-2-ene
SMILESC=C(C)SSC(C)=CC
InChIInChI=1S/C7H12S2/c1-5-7(4)9-8-6(2)3/h5H,2H2,1,3-4H3
InChIKeyWHSCYAOBXQBXSL-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(prop-1-en-2-yldisulfanyl)but-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene
CID 145179900
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene
CID 155737131
2-(propyldisulfanyl)but-2-ene
CID 154126940
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
ethane;tris(2-methylprop-1-ene)
CID 144520420
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
CID 144612392
lithium;hydride;2-methylprop-1-ene
CID 174274839
5-[1-[(Z)-but-2-en-2-yl]sulfanylethenyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 146617592

Frequently Asked Questions

What is the IUPAC name of 2-(prop-1-en-2-yldisulfanyl)but-2-ene?
The IUPAC name of 2-(prop-1-en-2-yldisulfanyl)but-2-ene (CID 123927518) is 2-(prop-1-en-2-yldisulfanyl)but-2-ene.
What is the SMILES notation for 2-(prop-1-en-2-yldisulfanyl)but-2-ene?
The canonical SMILES for 2-(prop-1-en-2-yldisulfanyl)but-2-ene is C=C(C)SSC(C)=CC.
What is the InChIKey of 2-(prop-1-en-2-yldisulfanyl)but-2-ene?
The InChIKey is WHSCYAOBXQBXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S2/c1-5-7(4)9-8-6(2)3/h5H,2H2,1,3-4H3.
What are the key properties of 2-(prop-1-en-2-yldisulfanyl)but-2-ene?
2-(prop-1-en-2-yldisulfanyl)but-2-ene has a molecular weight of 160.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-1-en-2-yldisulfanyl)but-2-ene is sourced from PubChem (CID 123927518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).