| CAS Number | 2038-15-5 |
| Catalog Number | AG00294N(AGN-PC-0QU0OA) |
| Chemical Name | 2,3-Dimethylbenzo[d]thiazol-3-ium methyl sulfate |
| IUPAC Name | 2,3-dimethyl-1,3-benzothiazol-3-ium;methyl sulfate |
| InChI | InChI=1S/C9H10NS.CH4O4S/c1-7-10(2)8-5-3-4-6-9(8)11-7;1-5-6(2,3)4/h3-6H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1 |
| InChI Key | SJGPSJRZYHPVKB-UHFFFAOYSA-M |
| MDL Number | MFCD00031761 |
| Molecular Formula | C10H13NO4S2 |
| Molecular Weight | 275.3445 |
| NSC Number | 408412 |
| SMILES | S(=O)(=O)(OC)[O-].CC=1SC2=C([N+]1C)C=CC=C2 |
| Synonyms | 2038-15-5,
2,3-dimethylbenzothiazolium methyl sulfate,
SCHEMBL4613852,
DTXSID90942541,
NSC408412,
AKOS015958659,
MCULE-1462602937,
NSC-408412,
2,3-dimethylbenzothiazolium methylsulfate,
Benzothiazolium, 2,3-dimethyl-, methyl sulfate,
2,3-dimethylbenzo[d]thiazol-3-ium methyl sulfate,
2,3-Dimethyl-1,3-benzothiazol-3-ium methyl sulfate,
F9995-0273,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.0286g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.3g/mol |
| Monoisotopic Mass | 275.0286g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 107Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number