| CAS Number | 19693-10-8 |
| Catalog Number | AG01BKKL(AGN-PC-044G2L) |
| Chemical Name | 2-Bromo-5-methylbenzenethiol |
| IUPAC Name | 2-bromo-5-methylbenzenethiol |
| InChI | InChI=1S/C7H7BrS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3 |
| InChI Key | QNISLFVTUSHUTO-UHFFFAOYSA-N |
| MDL Number | MFCD12026197 |
| Molecular Formula | C7H7BrS |
| Molecular Weight | 203.0995 |
| SMILES | SC1=CC(C)=CC=C1Br |
| Synonyms | 2-Bromo-5-methylbenzenethiol,
19693-10-8,
SCHEMBL6572299,
ZINC36533070,
|
| Complexity | 94.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.94518g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.1g/mol |
| Monoisotopic Mass | 201.94518g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number