| CAS Number | 886372-86-7 |
| Catalog Number | AG003MIN(AGN-PC-0OLTU0) |
| Chemical Name | 5-Bromo-3-nitropyridine-2-thiol |
| IUPAC Name | 5-bromo-3-nitro-1H-pyridine-2-thione |
| InChI | InChI=1S/C5H3BrN2O2S/c6-3-1-4(8(9)10)5(11)7-2-3/h1-2H,(H,7,11) |
| InChI Key | YINMWDRWADCKEZ-UHFFFAOYSA-N |
| MDL Number | MFCD07375012 |
| Molecular Formula | C5H3BrN2O2S |
| Molecular Weight | 235.0585 |
| SMILES | [O-][N+](C1=C(S)N=CC(Br)=C1)=O |
| Synonyms | 5-BROMO-3-NITROPYRIDINE-2-THIOL,
886372-86-7,
ACMC-209qvm,
5-BROMO-3-NITRO-PYRIDINE-2-THIOL,
CTK5G1066,
DTXSID40674547,
ANW-39104,
MFCD07375012,
ZINC38537086,
AKOS010478781,
AB40943,
RTR-027866,
5-Bromo-3-nitropyridine-2(1H)-thione,
5-BROMO-2-MERCAPTO-3-NITROPYRIDINE,
V8671,
B-4892,
I02-3176,
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