Products for Research Use Only
RegisterLogin

KKJ00626

CAT: 0013-GTR19197360-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19197360-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
KKJ00626 is a small molecule inhibitor that suppresses Hepatitis B virus (HBV) replication in transfected Huh7 cells in vitro. It is a research tool for studying HBV mechanisms and antiviral strategies in cell-based assays.
CAS Number
51646-17-4
Field of Research
Infectious Disease & Virology
Smiles
CC1=NC2=NC (=S) NN2C (C) =C1
Molecular Formula
C7H8N4S
Molecular Weight
180.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thiol
CAS Number51646-17-4
PubChem CID717191
IUPAC Name5,7-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione
Molecular FormulaC7H8N4S
Molecular Weight180.23
XLogP0.4
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity339
SMILES
CC1=CC(=NC2=NC(=S)NN12)C
InChI
InChI=1S/C7H8N4S/c1-4-3-5(2)11-6(8-4)9-7(12)10-11/h3H,1-2H3,(H,10,12)
InChIKey
PZXUJTDXOFHNKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thiol
CAS: 51646-17-4
CID: 717191
Formula: C7H8N4S
MW: 180.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.23
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass180.04696745
Monoisotopic Mass180.04696745
Topological Polar Surface Area72.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity339
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T27733-01KKJ00626

Popular Products