| CAS Number | 1263377-50-9 |
| Catalog Number | AG01F714(AGN-PC-3H496G) |
| Chemical Name | 2-Bromo-3-methylbenzenethiol |
| IUPAC Name | 2-bromo-3-methylbenzenethiol |
| InChI | InChI=1S/C7H7BrS/c1-5-3-2-4-6(9)7(5)8/h2-4,9H,1H3 |
| InChI Key | MLZXIPKHWMGBMD-UHFFFAOYSA-N |
| MDL Number | MFCD18089310 |
| Molecular Formula | C7H7BrS |
| Molecular Weight | 203.0995 |
| SMILES | Brc1c(C)cccc1S |
| Synonyms | 2-Bromo-3-methylthiophenol,
1263377-50-9,
2-bromo-3-methylbenzenethiol,
2-Bromo-3-methylbenzene-1-thiol,
SCHEMBL6900847,
ZINC67796576,
AKOS027385858,
|
| Complexity | 94.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.097g/mol |
| Monoisotopic Mass | 201.945g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number