| CAS Number | 1306746-93-9 |
| Catalog Number | AG009FG8(AGN-PC-0WR0OJ) |
| Chemical Name | 2-BROMO-3-(4-THIOMORPHOLINO)PROP-1-ENE |
| IUPAC Name | 4-(2-bromoprop-2-enyl)thiomorpholine |
| InChI | InChI=1S/C7H12BrNS/c1-7(8)6-9-2-4-10-5-3-9/h1-6H2 |
| InChI Key | JAZLDVGNYIEZRA-UHFFFAOYSA-N |
| MDL Number | MFCD18915041 |
| Molecular Formula | C7H12BrNS |
| Molecular Weight | 222.1459 |
| SMILES | BrC(=C)CN1CCSCC1 |
| Synonyms | 2-Bromo-3-(4-thiomorpholino)prop-1-ene,
1306746-93-9,
SCHEMBL10283314,
ZINC52441524,
C-0329,
4-(2-BROMOPROP-2-EN-1-YL)THIOMORPHOLINE,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.144g/mol |
| Monoisotopic Mass | 220.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number