| CAS Number | 89981-03-3 |
| Catalog Number | AG00IFX8(AGN-PC-03HXT9) |
| Chemical Name | 4-Bromo-2-methyl-1-(methylsulfanyl)benzene |
| IUPAC Name | 4-bromo-2-methyl-1-methylsulfanylbenzene |
| InChI | InChI=1S/C8H9BrS/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3 |
| InChI Key | RLVDBGSMCSDUST-UHFFFAOYSA-N |
| MDL Number | MFCD27931825 |
| Molecular Formula | C8H9BrS |
| Molecular Weight | 217.1261 |
| SMILES | Cc1cc(ccc1SC)Br |
| Synonyms | 4-bromo-2-methylthioanisole,
89981-03-3,
(4-Bromo-2-methylphenyl)(methyl)sulfane,
Benzene, 4-bromo-2-methyl-1-(methylthio)-,
4-BROMO-2-METHYL-1-(METHYLSULFANYL)BENZENE,
SCHEMBL2781542,
RLVDBGSMCSDUST-UHFFFAOYSA-N,
MFCD27931825,
AKOS027357056,
ZINC144112582,
|
| Complexity | 105 |
| 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 | 1 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number