| CAS Number | 1019441-45-2 |
| Catalog Number | AG01A8R8(AGN-PC-0WO6UO) |
| Chemical Name | 5-Bromo-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]aniline |
| IUPAC Name | 5-bromo-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline |
| InChI | InChI=1S/C9H9BrN4S/c1-14-5-12-13-9(14)15-8-3-2-6(10)4-7(8)11/h2-5H,11H2,1H3 |
| InChI Key | UTROVXWKEAVQQH-UHFFFAOYSA-N |
| MDL Number | MFCD11132382 |
| Molecular Formula | C9H9BrN4S |
| Molecular Weight | 285.1636 |
| SMILES | CN1C(SC2=C(N)C=C(Br)C=C2)=NN=C1 |
| Synonyms | 5-bromo-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]aniline,
1019441-45-2,
AC1Q3Z3G,
ZINC19845627,
AKOS000214991,
NE34822,
EN300-62373,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.163g/mol |
| Monoisotopic Mass | 283.973g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number