| CAS Number | 1215206-27-1 |
| Catalog Number | AG001572(AGN-PC-0WABT9) |
| Chemical Name | 6-Bromo-2-mercapto-4-(trifluoromethyl)benzothiazole |
| IUPAC Name | 6-bromo-4-(trifluoromethyl)-3H-1,3-benzothiazole-2-thione |
| InChI | InChI=1S/C8H3BrF3NS2/c9-3-1-4(8(10,11)12)6-5(2-3)15-7(14)13-6/h1-2H,(H,13,14) |
| InChI Key | YHVSJNXHRWSYML-UHFFFAOYSA-N |
| MDL Number | MFCD15143580 |
| Molecular Formula | C8H3BrF3NS2 |
| Molecular Weight | 314.1453 |
| SMILES | Brc1cc2sc(=S)[nH]c2c(c1)C(F)(F)F |
| Synonyms | 1215206-27-1,
6-Bromo-4-(trifluoromethyl)benzo[d]thiazole-2-thiol,
6-BROMO-2-MERCAPTO-4-(TRIFLUOROMETHYL)BENZOTHIAZOLE,
ACMC-209ad5,
CTK4B2465,
DTXSID10682073,
ANW-17703,
MFCD15143580,
ZINC65337241,
AKOS015835942,
AX8251592,
TR-034584,
Z8389,
A-5475,
I01-11240,
2(3H)-Benzothiazolethione, 6-bromo-4-(trifluoromethyl)-,
6-Bromo-4-(trifluoromethyl)-1,3-benzothiazole-2(3H)-thione,
C8H3BrF3NS2,
YHVSJNXHRWSYML-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