Products for Research Use Only

Qstatin

CAT: 0013-GTR19169489-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169489-02Size:10 mg
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Description
Qstatin
CAS Number
902688-24-8
Product Name Alternative
Bacterial, inhibit, Inhibitor, SmcR, Qstatin
Field of Research
Infectious Disease & Virology
Purity
98.00% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (11.26 mM) ; DMSO:83.33 mg/mL (284.25 mM)
Smiles
Brc1ccc (s1) S (=O) (=O) n1cccn1
Molecular Formula
C7H5BrN2O2S2
Molecular Weight
293.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Qstatin
CAS Number902688-24-8
PubChem CID3237735
IUPAC Name1-(5-bromothiophen-2-yl)sulfonylpyrazole
Molecular FormulaC7H5BrN2O2S2
Molecular Weight293.2
XLogP2.5
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity303
SMILES
C1=CN(N=C1)S(=O)(=O)C2=CC=C(S2)Br
InChI
InChI=1S/C7H5BrN2O2S2/c8-6-2-3-7(13-6)14(11,12)10-5-1-4-9-10/h1-5H
InChIKey
MLRBBGFHILYDBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Qstatin
CAS: 902688-24-8
CID: 3237735
Formula: C7H5BrN2O2S2
MW: 293.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight293.2
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass291.89758
Monoisotopic Mass291.89758
Topological Polar Surface Area88.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity303
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