| CAS Number | 38690-81-2 |
| Catalog Number | AG01DDN7(AGN-PC-0FFXED) |
| Chemical Name | 3-bromo-1lambda6-thiane-1,1-dione |
| IUPAC Name | 3-bromothiane 1,1-dioxide |
| InChI | InChI=1S/C5H9BrO2S/c6-5-2-1-3-9(7,8)4-5/h5H,1-4H2 |
| InChI Key | RFBOGDDBWJVTLD-UHFFFAOYSA-N |
| MDL Number | MFCD19607669 |
| Molecular Formula | C5H9BrO2S |
| Molecular Weight | 213.0928 |
| SMILES | BrC1CS(=O)(=O)CCC1 |
| Synonyms | 38690-81-2,
3-Bromo-1lambda6-thiane-1,1-dione,
3-Bromotetrahydro-2H-thiopyran 1,1-dioxide,
3-bromo-1??-thiane-1,1-dione,
3-bromo-1lambda-thiane-1,1-dione,
AKOS013237720,
NE46997,
11-dioxide-2H-3-bromotetrahydroThiopyran,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.089g/mol |
| Monoisotopic Mass | 211.951g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number