| CAS Number | 227278-83-3 |
| Catalog Number | AG00BLH4(AGN-PC-0WNOCD) |
| Chemical Name | 5-Benzothiazolesulfonylchloride |
| IUPAC Name | 1,3-benzothiazole-5-sulfonyl chloride |
| InChI | InChI=1S/C7H4ClNO2S2/c8-13(10,11)5-1-2-7-6(3-5)9-4-12-7/h1-4H |
| InChI Key | LDHVFSWXNMEGPU-UHFFFAOYSA-N |
| MDL Number | MFCD20233448 |
| Molecular Formula | C7H4ClNO2S2 |
| Molecular Weight | 233.6952 |
| SMILES | O=S(C1=CC=C(SC=N2)C2=C1)(Cl)=O |
| Synonyms | 227278-83-3,
Benzo[d]thiazole-5-sulfonyl chloride,
5-benzothiazolesulfonyl chloride,
1,3-benzothiazole-5-sulfonyl chloride,
SCHEMBL3153231,
MFCD20233448,
ZINC79848967,
AKOS016370517,
H132,
EN300-78162,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.684g/mol |
| Monoisotopic Mass | 232.937g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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