| CAS Number | 26579-59-9 |
| Catalog Number | AG002TQS(AGN-PC-0NJ5SQ) |
| Chemical Name | 3-Nitrothieno[3,2-b]pyridine |
| IUPAC Name | 3-nitrothieno[3,2-b]pyridine |
| InChI | InChI=1S/C7H4N2O2S/c10-9(11)5-4-12-6-2-1-3-8-7(5)6/h1-4H |
| InChI Key | PZLPDVVGNDJTHK-UHFFFAOYSA-N |
| MDL Number | MFCD21603851 |
| Molecular Formula | C7H4N2O2S |
| Molecular Weight | 180.1839 |
| SMILES | [O-][N+](=O)C1=CSC2=CC=CN=C12 |
| Synonyms | 3-Nitrothieno[3,2-b]pyridine,
26579-59-9,
Thieno[3,2-b]pyridine, 3-nitro-,
CTK8C2767,
DTXSID80500275,
2390AB,
ANW-68971,
MFCD21603851,
ZINC39236879,
AKOS016006032,
FCH1564038,
AJ-99285,
AS-40900,
AB0092151,
AX8216469,
TC-157716,
C7H4N2O2S,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.181g/mol |
| Monoisotopic Mass | 179.999g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number