| CAS Number | 156970-37-5 |
| Catalog Number | AG019ZID(AGN-PC-0WOA5Y) |
| Chemical Name | 5-Fluoro-4-methyl-1,3-benzothiazol-2-amine |
| IUPAC Name | 5-fluoro-4-methyl-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C8H7FN2S/c1-4-5(9)2-3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11) |
| InChI Key | DKFAKMRNAXFLMD-UHFFFAOYSA-N |
| MDL Number | MFCD16066174 |
| Molecular Formula | C8H7FN2S |
| Molecular Weight | 182.2180 |
| SMILES | NC1=NC2=C(C)C(F)=CC=C2S1 |
| Synonyms | 5-fluoro-4-methyl-1,3-benzothiazol-2-amine,
156970-37-5,
ZINC38865670,
AKOS010900655,
5-Fluoro-4-methylbenzothiazol-2-amine,
MCULE-1055602028,
NE15927,
5-fluoro-4-methyl-benzothiazol-2-amine,
CID10442336,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.216g/mol |
| Monoisotopic Mass | 182.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number