Molecular Details
DICL_CP_0307797
- 3-(prop-2-enyldisulfanyl)prop-1-ene
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307797
PubChem CID
Molecular Formula
C6H10S2 Molecular Weight
146.28 g/mol
Synonyms/Alias
[DIALLYL DISULFIDE; 2179-57-9; Allyl disulfide; Diallyldisulfide; Diallyl disulphide; 1;2-Diallyldisulfane; Disulfide; di-2-propenyl; Allyl disulphide; 2-Propenyl disulphide; 4;5-Dithia-1;7-octadiene;...
InChI Key
PFRGXCVKLLPLIP-UHFFFAOYSA-N
InChI
InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
IUPAC Name
3-(prop-2-enyldisulfanyl)prop-1-ene
CAS Number
2179-57-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
18 17 0 0 0 0 0 0 0 0999 V2000
3.7690 -0.1819 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6402 -0.3435 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5805 -1.315...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential vanilloid 1
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 36700 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Not mention
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
8
Rotatable Bonds
5
logP
2.7398
Complexity
45.31
TPSA (Ų)
0
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
0