| CAS Number | 1185293-68-8 |
| Catalog Number | AG008UHJ(AGN-PC-0WBOTJ) |
| Chemical Name | 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride |
| IUPAC Name | 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride |
| InChI | InChI=1S/C7H5ClN2O2S2.ClH/c1-4-2-3-5-6(10-13-9-5)7(4)14(8,11)12;/h2-3H,1H3;1H |
| InChI Key | MPTNWEHZPWASLC-UHFFFAOYSA-N |
| MDL Number | MFCD02232191 |
| Molecular Formula | C7H6Cl2N2O2S2 |
| Molecular Weight | 285.1707 |
| SMILES | CC1=C(C2=NSN=C2C=C1)S(=O)(=O)Cl.Cl |
| Synonyms | 1185293-68-8,
5-METHYL-BENZO[1,2,5]THIADIAZOLE-4-SULFONYLCHLORIDE HYDROCHLORIDE,
5-Methyl-benzo[1,2,5]thiadiazole-4-sulfonyl chloride hydrochloride,
CTK6C0653,
DTXSID80662968,
AKOS015844709,
TR-041213,
5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride hydrochloride,
5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride--hydrogen chloride (1/1),
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.157g/mol |
| Monoisotopic Mass | 283.925g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 96.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number