| CAS Number | 1215205-90-5 |
| Catalog Number | AG00156I(AGN-PC-0WAA4F) |
| Chemical Name | 4-Bromo-6-chloro-2-mercaptobenzothiazole |
| IUPAC Name | 4-bromo-6-chloro-3H-1,3-benzothiazole-2-thione |
| InChI | InChI=1S/C7H3BrClNS2/c8-4-1-3(9)2-5-6(4)10-7(11)12-5/h1-2H,(H,10,11) |
| InChI Key | OEAATHCDYWJVON-UHFFFAOYSA-N |
| MDL Number | MFCD15143552 |
| Molecular Formula | C7H3BrClNS2 |
| Molecular Weight | 280.5924 |
| SMILES | Clc1cc2sc(=S)[nH]c2c(c1)Br |
| Synonyms | 1215205-90-5,
4-Bromo-6-chlorobenzo[d]thiazole-2-thiol,
4-BROMO-6-CHLORO-2-MERCAPTOBENZOTHIAZOLE,
C7H3BrClNS2,
ACMC-209acf,
CTK4B2439,
DTXSID70681981,
ANW-17677,
MFCD15143552,
ZINC65337087,
AKOS015835452,
FCH1388366,
AX8251500,
TR-034555,
Z8371,
2(3H)-Benzothiazolethione, 4-bromo-6-chloro-,
A-5458,
4-Bromo-6-chloro-1,3-benzothiazole-2(3H)-thione,
I01-11062,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.858g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.582g/mol |
| Monoisotopic Mass | 278.858g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number