| CAS Number | 855463-87-5 |
| Catalog Number | AG01BGRD |
| Chemical Name | 5-chloro-2-methyl-1,3-benzothiazol-4-amine |
| IUPAC Name | 5-chloro-2-methyl-1,3-benzothiazol-4-amine |
| InChI | InChI=1S/C8H7ClN2S/c1-4-11-8-6(12-4)3-2-5(9)7(8)10/h2-3H,10H2,1H3 |
| InChI Key | YVPRZICWZISZCJ-UHFFFAOYSA-N |
| MDL Number | MFCD20703588 |
| Molecular Formula | C8H7ClN2S |
| Molecular Weight | 198.6726 |
| SMILES | ClC1=CC=C2C(N=C(S2)C)=C1N |
| Synonyms | 5-chloro-2-methyl-1,3-benzothiazol-4-amine,
855463-87-5,
5-chloro-2-methylbenzo[d]thiazol-4-amine,
ZINC85436315,
AKOS024627653,
MCULE-1477265608,
F2145-0979,
Z1973465513,
|
| 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 |
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Certificate of Analysis
Lot Number