| CAS Number | 7038-31-5 |
| Catalog Number | AG005JJK(AGN-PC-034TI7) |
| Chemical Name | 2-[(2-Amino-4-bromophenyl)disulfanyl]-5-bromoaniline |
| IUPAC Name | 2-[(2-amino-4-bromophenyl)disulfanyl]-5-bromoaniline |
| InChI | InChI=1S/C12H10Br2N2S2/c13-7-1-3-11(9(15)5-7)17-18-12-4-2-8(14)6-10(12)16/h1-6H,15-16H2 |
| InChI Key | QKGJYQWMAQOPIA-UHFFFAOYSA-N |
| MDL Number | MFCD22421481 |
| Molecular Formula | C12H10Br2N2S2 |
| Molecular Weight | 406.1592 |
| SMILES | Brc1ccc(c(c1)N)SSc1ccc(cc1N)Br |
| Synonyms | 7038-31-5,
2-[(2-Amino-4-bromophenyl)disulfanyl]-5-bromoaniline,
Benzenamine, 2,2'-dithiobis[5-bromo- (9CI),
SCHEMBL488915,
CTK2I1147,
ZINC95494783,
CJ-22688,
QKGJYQWMAQOPIA-UHFFFAOYSA-N,
2-amino-4-bromo-benzenethiol dimer,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.863g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.154g/mol |
| Monoisotopic Mass | 403.865g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number