Tizanidine Impurity 38

CAT: 1299-RM-T092638-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T092638-01Size:10 mg

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CAS Number

767-64-6

Synonyms

Benzo[c][1,2,5]thiadiazol-4-amine

Molecular Formula

C6H5N3S

Molecular Weight

151.19

Target Alternative Name

Tizanidine

Product Name Synonym

Benzo[c][1,2,5]thiadiazol-4-amine

Chemical Information

2,1,3-Benzothiadiazol-4-amine

CAS Number	767-64-6
PubChem CID	69845
IUPAC Name	2,1,3-benzothiadiazol-4-amine
Molecular Formula	C6H5N3S
Molecular Weight	151.19
XLogP	1.1
Topological Polar Surface Area	80
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	130

SMILES

C1=CC2=NSN=C2C(=C1)N

InChI

InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2

InChIKey

DRLGIZIAMHIQHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 767-64-6

CID: 69845

Formula: C6H5N3S

MW: 151.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.19
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	151.02041835
Monoisotopic Mass	151.02041835
Topological Polar Surface Area	80 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	130
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-T00993-01	Tizanidine Impurity A
CS-T-72004	Tizanidine Guanidine Impurity
AR-T05340-01	Tizanidine Impurity 2
AR-T05342-01	Tizanidine Impurity 4
CS-TB-24444	Tizanidine EP Impurity A
AR-T05344-01	Tizanidine Impurity 6
AR-T02403-01	Tizanidine Dimer Impurity
CS-T-15027	Tizanidine Dehydro Impurity
CS-T-11767	Tizanidine Lactam Impurity
AR-T05343-01	Tizanidine Impurity 5