| CAS Number | 876489-83-7 |
| Catalog Number | AG003J0N(AGN-PC-0OL6L1) |
| Chemical Name | 3-Bromo-5-nitropyridine-2-thiol |
| IUPAC Name | 3-bromo-5-nitro-1H-pyridine-2-thione |
| InChI | InChI=1S/C5H3BrN2O2S/c6-4-1-3(8(9)10)2-7-5(4)11/h1-2H,(H,7,11) |
| InChI Key | JLXXADZVLHJOSA-UHFFFAOYSA-N |
| MDL Number | MFCD08752228 |
| Molecular Formula | C5H3BrN2O2S |
| Molecular Weight | 235.0585 |
| SMILES | [O-][N+](=O)c1cnc(c(c1)Br)S |
| Synonyms | 876489-83-7,
3-BROMO-2-MERCAPTO-5-NITROPYRIDINE,
3-Bromo-5-nitropyridine-2-thiol,
ACMC-209qp1,
CTK3E6664,
DTXSID20649899,
ANW-38867,
MFCD10574681,
ZINC14982277,
AKOS015833994,
3-bromo-5-nitro-1H-pyridine-2-thione,
3-Bromo-5-nitropyridine-2(1H)-thione,
DB-082019,
TR-027561,
FT-0768147,
V8532,
B-5678,
C5H3BrN2O2S,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.91g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.055g/mol |
| Monoisotopic Mass | 233.91g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 89.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number