| CAS Number | 1221931-63-0 |
| Catalog Number | AG00J3FL |
| Chemical Name | 7-chloro-2-methyl-1,3-benzothiazol-6-amine |
| IUPAC Name | 7-chloro-2-methyl-1,3-benzothiazol-6-amine |
| InChI | InChI=1S/C8H7ClN2S/c1-4-11-6-3-2-5(10)7(9)8(6)12-4/h2-3H,10H2,1H3 |
| InChI Key | VTIJAXOJIAYKHB-UHFFFAOYSA-N |
| MDL Number | MFCD20727731 |
| Molecular Formula | C8H7ClN2S |
| Molecular Weight | 198.6726 |
| SMILES | CC1=NC2=C(S1)C(=C(C=C2)N)Cl |
| Synonyms | 7-chloro-2-methyl-1,3-benzothiazol-6-amine,
1221931-63-0,
7-Chloro-2-methylbenzo[d]thiazol-6-amine,
SCHEMBL12210622,
MFCD20727731,
AKOS030631329,
ZINC200209419,
|
| 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