| CAS Number | 32358-88-6 |
| Catalog Number | AG00I64P(AGN-PC-00028T) |
| Chemical Name | 4-Bromotetrahydro-2H-thiopyran |
| IUPAC Name | 4-bromothiane |
| InChI | InChI=1S/C5H9BrS/c6-5-1-3-7-4-2-5/h5H,1-4H2 |
| InChI Key | XYXKPHDVGJYKRH-UHFFFAOYSA-N |
| MDL Number | MFCD07357446 |
| Molecular Formula | C5H9BrS |
| Molecular Weight | 181.0940 |
| SMILES | BrC1CCSCC1 |
| Synonyms | 4-bromotetrahydro-2H-thiopyran,
32358-88-6,
2H-Thiopyran, 4-bromotetrahydro-,
4-bromothiane,
SCHEMBL16717064,
ALBB-022852,
MFCD07357446,
ZINC34203540,
AKOS005216399,
4-Bromotetrahydro-2H-thiopyran, AldrichCPR,
Y-2773,
|
| Complexity | 50 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.091g/mol |
| Monoisotopic Mass | 179.961g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number