| CAS Number | 1215205-88-1 |
| Catalog Number | AG00156K(AGN-PC-0WAA2P) |
| Chemical Name | 4-Bromo-2-mercapto-6-(trifluoromethyl)benzothiazole |
| IUPAC Name | 4-bromo-6-(trifluoromethyl)-3H-1,3-benzothiazole-2-thione |
| InChI | InChI=1S/C8H3BrF3NS2/c9-4-1-3(8(10,11)12)2-5-6(4)13-7(14)15-5/h1-2H,(H,13,14) |
| InChI Key | HAIZUSNDTLOTKR-UHFFFAOYSA-N |
| MDL Number | MFCD13195699 |
| Molecular Formula | C8H3BrF3NS2 |
| Molecular Weight | 314.1453 |
| SMILES | FC(c1cc(Br)c2c(c1)sc(=S)[nH]2)(F)F |
| Synonyms | 1215205-88-1,
4-Bromo-6-(trifluoromethyl)benzo[d]thiazole-2-thiol,
4-BROMO-2-MERCAPTO-6-(TRIFLUOROMETHYL)BENZOTHIAZOLE,
ACMC-209ace,
CTK4B2438,
DTXSID10681980,
ANW-17676,
MFCD13195699,
ZINC40456615,
AKOS015835443,
AX8251591,
TR-034553,
Z8369,
A-5456,
I01-11061,
2(3H)-Benzothiazolethione, 4-bromo-6-(trifluoromethyl)-,
4-Bromo-6-(trifluoromethyl)-1,3-benzothiazole-2(3H)-thione,
C8H3BrF3NS2,
HAIZUSNDTLOTKR-UHFFFAOYSA-N,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.884g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.138g/mol |
| Monoisotopic Mass | 312.884g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number