| CAS Number | 223555-81-5 |
| Catalog Number | AG003TDT(AGN-PC-0QYYTA) |
| Chemical Name | N-Thiomorpholinyl 4-bromobenzenesulfonamide |
| IUPAC Name | 4-bromo-N-thiomorpholin-4-ylbenzenesulfonamide |
| InChI | InChI=1S/C10H13BrN2O2S2/c11-9-1-3-10(4-2-9)17(14,15)12-13-5-7-16-8-6-13/h1-4,12H,5-8H2 |
| InChI Key | ZNNSYZYQIDDFSB-UHFFFAOYSA-N |
| MDL Number | MFCD07783890 |
| Molecular Formula | C10H13BrN2O2S2 |
| Molecular Weight | 337.2564 |
| SMILES | O=S(C1=CC=C(Br)C=C1)(NN2CCSCC2)=O |
| Synonyms | 223555-81-5,
4-Bromo-N-thiomorpholinobenzenesulfonamide,
ACMC-209fvj,
CTK4E9259,
DTXSID60695633,
ANW-24845,
AKOS015835620,
RTR-010532,
Thiomorpholine,4-[(4-bromophenyl)sulfonyl]-,
4-Bromo-N-(thiomorpholin-4-yl)benzene-1-sulfonamide,
I01-11099,
N-THIOMORPHOLINYL 4-BROMOBENZENESULFONAMIDE,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.25g/mol |
| Monoisotopic Mass | 335.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number