| CAS Number | 6608-49-7 |
| Catalog Number | AG00IBK1(AGN-PC-0NIPG5) |
| Chemical Name | 2-chlorobenzo[d]thiazole-5-sulfonyl chloride |
| IUPAC Name | 2-chloro-1,3-benzothiazole-5-sulfonyl chloride |
| InChI | InChI=1S/C7H3Cl2NO2S2/c8-7-10-5-3-4(14(9,11)12)1-2-6(5)13-7/h1-3H |
| InChI Key | XMJQGQZTMSDKOR-UHFFFAOYSA-N |
| MDL Number | MFCD24842785 |
| Molecular Formula | C7H3Cl2NO2S2 |
| Molecular Weight | 268.1402 |
| SMILES | ClC1SC2=C(C=C(S(Cl)(=O)=O)C=C2)N=1 |
| Synonyms | 6608-49-7,
2-Chlorobenzo[d]thiazole-5-sulfonyl chloride,
2-chloro-1,3-benzothiazole-5-sulfonyl chloride,
5-Benzothiazolesulfonyl chloride, 2-chloro-,
SCHEMBL1094692,
MFCD24842785,
ZINC97956497,
AKOS023825467,
AS-43028,
2-chloro-benzothiazole-5-sulfonyl chloride,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.898g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.126g/mol |
| Monoisotopic Mass | 266.898g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number