| CAS Number | 1215205-85-8 |
| Catalog Number | AG00155A(AGN-PC-0WAB4W) |
| Chemical Name | 5-Bromo-2-mercapto-6-methoxybenzothiazole |
| IUPAC Name | 5-bromo-6-methoxy-3H-1,3-benzothiazole-2-thione |
| InChI | InChI=1S/C8H6BrNOS2/c1-11-6-3-7-5(2-4(6)9)10-8(12)13-7/h2-3H,1H3,(H,10,12) |
| InChI Key | PHAGEHCGWCLLAJ-UHFFFAOYSA-N |
| MDL Number | MFCD15143549 |
| Molecular Formula | C8H6BrNOS2 |
| Molecular Weight | 276.1733 |
| SMILES | COc1cc2sc(=S)[nH]c2cc1Br |
| Synonyms | 1215205-85-8,
5-Bromo-6-methoxybenzo[d]thiazole-2-thiol,
5-BROMO-2-MERCAPTO-6-METHOXYBENZOTHIAZOLE,
ACMC-209acb,
C8H6BrNOS2,
CTK4B2435,
DTXSID40681973,
ANW-17673,
MFCD15143549,
ZINC65337077,
AKOS015834046,
FCH1388364,
AX8251499,
TR-034550,
Z8367,
A-5454,
2(3H)-Benzothiazolethione, 5-bromo-6-methoxy-,
5-Bromo-6-methoxy-1,3-benzothiazole-2(3H)-thione,
I01-11177,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.907g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.166g/mol |
| Monoisotopic Mass | 274.907g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H312-H332
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Packing Group
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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UN Code
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Certificate of Analysis
Lot Number