| CAS Number | 850349-32-5 |
| Catalog Number | AG004PVE(AGN-PC-0UWT5Q) |
| Chemical Name | 4-(3-BROMO-BENZENESULFONYL)-THIOMORPHOLINE |
| IUPAC Name | 4-(3-bromophenyl)sulfonylthiomorpholine |
| InChI | InChI=1S/C10H12BrNO2S2/c11-9-2-1-3-10(8-9)16(13,14)12-4-6-15-7-5-12/h1-3,8H,4-7H2 |
| InChI Key | ALQQBRRUKQEDOM-UHFFFAOYSA-N |
| MDL Number | MFCD06657738 |
| Molecular Formula | C10H12BrNO2S2 |
| Molecular Weight | 322.2418 |
| SMILES | O=S(N1CCSCC1)(C2=CC=CC(Br)=C2)=O |
| Synonyms | 850349-32-5,
4-(3-Bromo-benzenesulfonyl)-thiomorpholine,
4-((3-Bromophenyl)sulfonyl)thiomorpholine,
1-[(3-Bromobenzene)sulfonyl]thiomorpholine,
Oprea1_008388,
CTK5F3803,
DTXSID10590104,
ZINC15042265,
AKOS010042103,
MCULE-9821833783,
4-(3-Bromophenylsulfonyl)thiomorpholine,
4-(3-bromobenzenesulfonyl)thiomorpholine,
NCGC00315076-01,
FS010820,
4-(3-Bromobenzene-1-sulfonyl)thiomorpholine,
Thiomorpholine,4-[(3-bromophenyl)sulfonyl]-,
C-0673,
AB01309766-01,
I14-15903,
Z741392956,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.235g/mol |
| Monoisotopic Mass | 320.949g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.1A^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
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