| CAS Number | 1155287-47-0 |
| Catalog Number | AG0096Y4(AGN-PC-0WOV6B) |
| Chemical Name | 5-Fluoro-6-methyl-1,3-benzothiazol-2-amine |
| IUPAC Name | 5-fluoro-6-methyl-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C8H7FN2S/c1-4-2-7-6(3-5(4)9)11-8(10)12-7/h2-3H,1H3,(H2,10,11) |
| InChI Key | OQQFVEGDEQPCHH-UHFFFAOYSA-N |
| MDL Number | MFCD08669847 |
| Molecular Formula | C8H7FN2S |
| Molecular Weight | 182.2180 |
| SMILES | FC1=CC=2N=C(SC2C=C1C)N |
| Synonyms | 1155287-47-0,
5-fluoro-6-methyl-1,3-benzothiazol-2-amine,
5-fluoro-6-methyl-benzothiazol-2-ylamine,
5-Fluoro-6-methylbenzo[d]thiazol-2-amine,
SCHEMBL2911354,
OQQFVEGDEQPCHH-UHFFFAOYSA-N,
ZINC34308512,
AKOS006289757,
Z1946684611,
|
| 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