| CAS Number | 69321-55-7 |
| Catalog Number | AG01BKKC(AGN-PC-025FWN) |
| Chemical Name | 5-Bromo-2-methylbenzene-1-thiol |
| IUPAC Name | 5-bromo-2-methylbenzenethiol |
| InChI | InChI=1S/C7H7BrS/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3 |
| InChI Key | SFFDMQAUOUPZMM-UHFFFAOYSA-N |
| MDL Number | MFCD12026221 |
| Molecular Formula | C7H7BrS |
| Molecular Weight | 203.0995 |
| SMILES | CC1=C(S)C=C(Br)C=C1 |
| Synonyms | 5-Bromo-2-methylbenzenethiol,
69321-55-7,
SCHEMBL5424955,
Benzenethiol, 5-bromo-2-methyl-,
SFFDMQAUOUPZMM-UHFFFAOYSA-N,
ZINC36533084,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number