| CAS Number | 36050-10-9 |
| Catalog Number | AG01B6WO(AGN-PC-0JW5ZV) |
| Chemical Name | 5-Methyl-4-nitrothiophene-2-carboxamide |
| IUPAC Name | 5-methyl-4-nitrothiophene-2-carboxamide |
| InChI | InChI=1S/C6H6N2O3S/c1-3-4(8(10)11)2-5(12-3)6(7)9/h2H,1H3,(H2,7,9) |
| InChI Key | DFQLMQGFILOBCQ-UHFFFAOYSA-N |
| MDL Number | MFCD01025640 |
| Molecular Formula | C6H6N2O3S |
| Molecular Weight | 186.1884 |
| SMILES | CC1=C(C=C(S1)C(=O)N)[N+](=O)[O-] |
| Synonyms | 5-methyl-4-nitrothiophene-2-carboxamide,
36050-10-9,
AC1LGF2F,
SCHEMBL15577326,
ZINC251205,
EU-0035591,
SR-01000406241,
SR-01000406241-1,
CID770001,
ZINC00251205,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.185g/mol |
| Monoisotopic Mass | 186.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number