| CAS Number | 38441-47-3 |
| Catalog Number | AG01EVRQ(AGN-PC-0NIJS7) |
| Chemical Name | 2,5-Dibromobenzenethiol |
| IUPAC Name | 2,5-dibromobenzenethiol |
| InChI | InChI=1S/C6H4Br2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H |
| InChI Key | ZUAMDMWZDFEYFG-UHFFFAOYSA-N |
| MDL Number | MFCD00068901 |
| Molecular Formula | C6H4Br2S |
| Molecular Weight | 267.9690 |
| SMILES | SC1=CC(Br)=CC=C1Br |
| Synonyms | 2,5-Dibromobenzenethiol,
2,5-dibromothiophenol,
38441-47-3,
2,5-Dibromthiophenol,
2,5-dibromo-thiophenol,
SCHEMBL1392572,
ZUAMDMWZDFEYFG-UHFFFAOYSA-N,
ZINC20431081,
AKOS009266196,
|
| 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 | 3.5 |
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Certificate of Analysis
Lot Number