| CAS Number | 155596-89-7 |
| Catalog Number | AG001O0C(AGN-PC-0WAA2Q) |
| Chemical Name | 4-Bromo-2-mercapto-6-methylbenzo]thiazole |
| IUPAC Name | 4-bromo-6-methyl-3H-1,3-benzothiazole-2-thione |
| InChI | InChI=1S/C8H6BrNS2/c1-4-2-5(9)7-6(3-4)12-8(11)10-7/h2-3H,1H3,(H,10,11) |
| InChI Key | NTFRCPCWLQNGLF-UHFFFAOYSA-N |
| MDL Number | MFCD15143551 |
| Molecular Formula | C8H6BrNS2 |
| Molecular Weight | 260.1739 |
| SMILES | Cc1cc2sc(=S)[nH]c2c(c1)Br |
| Synonyms | 4-Bromo-6-methylbenzo[d]thiazole-2-thiol,
155596-89-7,
4-bromo-2-mercapto-6-methylbenzo]thiazole,
SCHEMBL9032826,
DTXSID50596746,
NTFRCPCWLQNGLF-UHFFFAOYSA-N,
MFCD15143551,
ZINC65337085,
AKOS015888949,
FCH1388365,
4-Bromo-2-mercapto-6-methylbenzothiazole,
AX8251595,
4-Bromo-6-methylbenzothiazole-2(3H)-thione,
V3522,
2(3H)-Benzothiazolethione, 4-bromo-6-methyl-,
B-3770,
4-Bromo-6-methyl-1,3-benzothiazole-2(3H)-thione,
I01-16211,
C8H6BrNS2,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.913g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.167g/mol |
| Monoisotopic Mass | 258.913g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number