| CAS Number | 1286699-99-7 |
| Catalog Number | AG01FMZE(AGN-PC-0WCNRE) |
| Chemical Name | 3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-imine |
| IUPAC Name | 3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-imine |
| InChI | InChI=1S/C9H10N2O2S2/c1-11-7-4-3-6(15(2,12)13)5-8(7)14-9(11)10/h3-5,10H,1-2H3 |
| InChI Key | MNBFHJWUTPWNFJ-UHFFFAOYSA-N |
| MDL Number | MFCD22587638 |
| Molecular Formula | C9H10N2O2S2 |
| Molecular Weight | 242.3179 |
| SMILES | CS(=O)(=O)C1C=C2C(=CC=1)N(C)C(=N)S2 |
| Synonyms | 3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-imine,
1286699-99-7,
AKOS024627531,
ZINC100968411,
MCULE-4441876280,
F2145-0504,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.311g/mol |
| Monoisotopic Mass | 242.018g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 94.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number