| CAS Number | 101253-50-3 |
| Catalog Number | AG00042B(AGN-PC-0OQI6L) |
| Chemical Name | 6-Benzothiazolamine, 5-chloro-2-methyl- |
| IUPAC Name | 5-chloro-2-methyl-1,3-benzothiazol-6-amine |
| InChI | InChI=1S/C8H7ClN2S/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,10H2,1H3 |
| InChI Key | MOWJTBJTHSFSBO-UHFFFAOYSA-N |
| MDL Number | MFCD18826625 |
| Molecular Formula | C8H7ClN2S |
| Molecular Weight | 198.6726 |
| SMILES | NC1=C(Cl)C=C2N=C(C)SC2=C1 |
| Synonyms | 101253-50-3,
5-Chloro-2-methylbenzo[d]thiazol-6-amine,
5-chloro-2-methyl-1,3-benzothiazol-6-amine,
SCHEMBL1115552,
CTK8G4287,
ZINC98178143,
AKOS022187767,
EBD2091052,
6-Benzothiazolamine, 5-chloro-2-methyl-,
AJ-139248,
Z1966486669,
6-Amino-5-chloro-2-methylbenzo[d]thiazole;5-Chloro-2-methyl-6-benzo[d]thiazolamine,
Benzothiazole, 6-amino-5-chloro-2-methyl- (6CI),
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.668g/mol |
| Monoisotopic Mass | 198.002g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number