| CAS Number | 14395-51-8 |
| Catalog Number | AG01B8WS(AGN-PC-02PJUE) |
| Chemical Name | 4-Bromo-2-methylbenzene-1-thiol |
| IUPAC Name | 4-bromo-2-methylbenzenethiol |
| InChI | InChI=1S/C7H7BrS/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3 |
| InChI Key | FDBASSUDFNUONY-UHFFFAOYSA-N |
| MDL Number | MFCD12026194 |
| Molecular Formula | C7H7BrS |
| Molecular Weight | 203.0995 |
| SMILES | CC1=CC(=CC=C1S)Br |
| Synonyms | 4-Bromo-2-methylbenzenethiol,
14395-51-8,
4-bromo-2-methylbenzene-1-thiol,
4-bromo-2-methyl-thiophenol,
4-bromo-2-methyl benzenethiol,
SCHEMBL4065253,
Benzenethiol, 4-bromo-2-methyl-,
FDBASSUDFNUONY-UHFFFAOYSA-N,
ZINC36533067,
AKOS028114243,
|
| 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