| CAS Number | 70009-86-8 |
| Catalog Number | AG005RIA(AGN-PC-0NKRK2) |
| Chemical Name | 2,4-Dibromobenzenethiol |
| IUPAC Name | 2,4-dibromobenzenethiol |
| InChI | InChI=1S/C6H4Br2S/c7-4-1-2-6(9)5(8)3-4/h1-3,9H |
| InChI Key | CNAYUKHUMFQDAT-UHFFFAOYSA-N |
| MDL Number | MFCD00068900 |
| Molecular Formula | C6H4Br2S |
| Molecular Weight | 267.9690 |
| SMILES | BrC1=C(C=CC(=C1)Br)S |
| Synonyms | 2,4-Dibromobenzenethiol,
70009-86-8,
Benzenethiol, 2,4-dibromo-,
2,4-dibromothiophenol,
2,4-Dibromobenzene-1-thiol,
SCHEMBL4304179,
CTK2H5391,
DTXSID90577377,
ZINC34727614,
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| Complexity | 97.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.838g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.966g/mol |
| Monoisotopic Mass | 265.84g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number