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Tizanidine EP Impurity A

CAT: 1299-RM-T092601-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T092601-01Size:10 mg
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CAS Number
51322-69-1
Synonyms
N- (4,5-dihydro-1H-imidazol-2-yl) benzo[c][1,2,5]thiadiazol-4-amine
Molecular Formula
C9H9N5S
Molecular Weight
219.27
Target Alternative Name
Tizanidine
Product Name Synonym
N- (4,5-dihydro-1H-imidazol-2-yl) benzo[c][1,2,5]thiadiazol-4-amine

Chemical Information

2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)-
CAS Number51322-69-1
PubChem CID11806186
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
Molecular FormulaC9H9N5S
Molecular Weight219.27
XLogP0.5
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity269
SMILES
C1CN=C(N1)NC2=CC=CC3=NSN=C32
InChI
InChI=1S/C9H9N5S/c1-2-6(12-9-10-4-5-11-9)8-7(3-1)13-15-14-8/h1-3H,4-5H2,(H2,10,11,12)
InChIKey
LQKZBTDCGZTIQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)-
CAS: 51322-69-1
CID: 11806186
Formula: C9H9N5S
MW: 219.27
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.27
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass219.05786648
Monoisotopic Mass219.05786648
Topological Polar Surface Area90.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity269
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

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