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DSHS00884

CAT: 0931-T15172-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T15172-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
675104-49-1
Target
Others, Virus Protease
Related Pathways
Others, Microbiology/Virology
Bioactivity
DSHS00884 is a potent inhibitor of human papillomavirus E6 (IC50: 10 μM) .
Smiles
[O-][N+](=O)c1ccccc1SCc1n[nH]c(=S)n1CC=C
Molecular Formula
C12H12N4O2S2
Molecular Weight
308.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ssya-10-001
CAS Number675104-49-1
PubChem CID2807230
IUPAC Name3-[(2-nitrophenyl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Molecular FormulaC12H12N4O2S2
Molecular Weight308.4
XLogP2.7
Topological Polar Surface Area131
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity436
SMILES
C=CCN1C(=NNC1=S)CSC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H12N4O2S2/c1-2-7-15-11(13-14-12(15)19)8-20-10-6-4-3-5-9(10)16(17)18/h2-6H,1,7-8H2,(H,14,19)
InChIKey
VWFIHGWHMXSTAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ssya-10-001
CAS: 675104-49-1
CID: 2807230
Formula: C12H12N4O2S2
MW: 308.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass308.04016799
Monoisotopic Mass308.04016799
Topological Polar Surface Area131 Ų
Heavy Atom Count20
Formal Charge0
Complexity436
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
GTR19203399-01DSHS00884

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