| CAS Number | 312581-33-2 |
| Catalog Number | AG01B67Q |
| Chemical Name | 2-(2-Bromoethyl)-1,3-dithiolane |
| IUPAC Name | 2-(2-bromoethyl)-1,3-dithiolane |
| InChI | InChI=1S/C5H9BrS2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2 |
| InChI Key | FBDKRVBTKUEMTH-UHFFFAOYSA-N |
| MDL Number | MFCD24464664 |
| Molecular Formula | C5H9BrS2 |
| Molecular Weight | 213.1590 |
| SMILES | BrCCC1SCCS1 |
| Synonyms | 2-(2-bromoethyl)-1,3-dithiolane,
312581-33-2,
SCHEMBL5180394,
ZINC38846516,
|
| Complexity | 61.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.151g/mol |
| Monoisotopic Mass | 211.933g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number