| CAS Number | 90532-01-7 |
| Catalog Number | AG01B2RY |
| Chemical Name | 1-(Bromomethyl)-3-(methylsulfanyl)benzene |
| IUPAC Name | 1-(bromomethyl)-3-methylsulfanylbenzene |
| InChI | InChI=1S/C8H9BrS/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3 |
| InChI Key | KXQGNTFIGUJDAS-UHFFFAOYSA-N |
| MDL Number | MFCD24464838 |
| Molecular Formula | C8H9BrS |
| Molecular Weight | 217.1261 |
| SMILES | CSC1=CC(CBr)=CC=C1 |
| Synonyms | 90532-01-7,
1-(bromomethyl)-3-(methylsulfanyl)benzene,
Benzene, 1-(bromomethyl)-3-(methylthio)-,
SCHEMBL4619501,
KXQGNTFIGUJDAS-UHFFFAOYSA-N,
ZINC164976798,
1-Bromomethyl-3-methylsulfanyl-benzene,
|
| Complexity | 95.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.124g/mol |
| Monoisotopic Mass | 215.961g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number