| CAS Number | 1263377-44-1 |
| Catalog Number | AG01F713(AGN-PC-0WCMAW) |
| Chemical Name | 3-Bromo-2-methylbenzenethiol |
| IUPAC Name | 3-bromo-2-methylbenzenethiol |
| InChI | InChI=1S/C7H7BrS/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3 |
| InChI Key | LEOFHMZWMVHVIS-UHFFFAOYSA-N |
| MDL Number | MFCD18089338 |
| Molecular Formula | C7H7BrS |
| Molecular Weight | 203.0995 |
| SMILES | Cc1c(S)cccc1Br |
| Synonyms | 3-Bromo-2-methylthiophenol,
1263377-44-1,
3-bromo-2-methylbenzenethiol,
3-Bromo-2-methylbenzene-1-thiol,
3-Bromo-2-methyl-benzenethiol,
SCHEMBL6576104,
MFCD18089338,
ZINC67796616,
AKOS027385860,
|
| 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