| CAS Number | 103873-80-9 |
| Catalog Number | AG0096SR(AGN-PC-0WNGGX) |
| Chemical Name | 5-Bromo-4-methylbenzo[d]thiazol-2-amine |
| IUPAC Name | 5-bromo-4-methyl-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C8H7BrN2S/c1-4-5(9)2-3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11) |
| InChI Key | IVXQBGMLYMGHFZ-UHFFFAOYSA-N |
| MDL Number | MFCD23705662 |
| Molecular Formula | C8H7BrN2S |
| Molecular Weight | 243.1236 |
| SMILES | NC1=NC2=C(C)C(Br)=CC=C2S1 |
| Synonyms | 5-bromo-4-methylbenzo[d]thiazol-2-amine,
103873-80-9,
KS-00000TWV,
MFCD23705662,
AKOS026736851,
ZINC229213585,
AS07109,
AK550384,
DS-19535,
5-bromo-4-methyl-1,3-benzothiazol-2-amine,
CS-0062260,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.122g/mol |
| Monoisotopic Mass | 241.951g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number