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Tizanidine Impurity 24

CAT: 1299-RM-T092624-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T092624-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2274-89-7
Synonyms
5-chloro-4-nitrobenzo[c][1,2,5]thiadiazole
Molecular Formula
C6H2ClN3O2S
Molecular Weight
215.61
Target Alternative Name
Tizanidine
Product Name Synonym
5-chloro-4-nitrobenzo[c][1,2,5]thiadiazole

Chemical Information

5-Chloro-4-(hydroxy(oxido)amino)-2,1,3-benzothiadiazole
CAS Number2274-89-7
PubChem CID305449
IUPAC Name5-chloro-4-nitro-2,1,3-benzothiadiazole
Molecular FormulaC6H2ClN3O2S
Molecular Weight215.62
XLogP2.2
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity224
SMILES
C1=CC2=NSN=C2C(=C1Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H2ClN3O2S/c7-3-1-2-4-5(9-13-8-4)6(3)10(11)12/h1-2H
InChIKey
MSDMEVQEACHYNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-4-(hydroxy(oxido)amino)-2,1,3-benzothiadiazole
CAS: 2274-89-7
CID: 305449
Formula: C6H2ClN3O2S
MW: 215.62
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight215.62
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass214.9556252
Monoisotopic Mass214.9556252
Topological Polar Surface Area99.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity224
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