| CAS Number | 149575-65-5 |
| Catalog Number | AG001LUG(AGN-PC-0033A7) |
| Chemical Name | 1,3-Benzothiazole-4-sulfonyl Chloride |
| IUPAC Name | 1,3-benzothiazole-4-sulfonyl chloride |
| InChI | InChI=1S/C7H4ClNO2S2/c8-13(10,11)6-3-1-2-5-7(6)9-4-12-5/h1-4H |
| InChI Key | IAHKZUNYBBKBDO-UHFFFAOYSA-N |
| MDL Number | MFCD16251206 |
| Molecular Formula | C7H4ClNO2S2 |
| Molecular Weight | 233.6952 |
| SMILES | O=S(C1=C2N=CSC2=CC=C1)(Cl)=O |
| Synonyms | 149575-65-5,
1,3-BENZOTHIAZOLE-4-SULFONYL CHLORIDE,
Benzo[d]thiazole-4-sulfonyl chloride,
4-Benzothiazolesulfonyl Chloride,
4-Benzothiazolesulfonylchloride,
ACMC-20dsfj,
SCHEMBL3739722,
CTK0G9605,
DTXSID40565961,
IAHKZUNYBBKBDO-UHFFFAOYSA-N,
MFCD16251206,
ZINC72399401,
AKOS006334624,
RT-005833,
FT-0662580,
L-1315,
J-008601,
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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 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number