| CAS Number | 905839-54-5 |
| Catalog Number | AG01ACLM |
| Chemical Name | 5-methyl-4-nitrothiophene-2-sulfonamide |
| IUPAC Name | 5-methyl-4-nitrothiophene-2-sulfonamide |
| InChI | InChI=1S/C5H6N2O4S2/c1-3-4(7(8)9)2-5(12-3)13(6,10)11/h2H,1H3,(H2,6,10,11) |
| InChI Key | OUGDKKIYXNBIPE-UHFFFAOYSA-N |
| MDL Number | MFCD31629222 |
| Molecular Formula | C5H6N2O4S2 |
| Molecular Weight | 222.2421 |
| SMILES | CC1=C([N+]([O-])=O)C=C(S(N)(=O)=O)S1 |
| Synonyms | 5-methyl-4-nitrothiophene-2-sulfonamide,
5-methyl-4-nitro-thiophene-2-sulfonamide,
905839-54-5,
SCHEMBL1941373,
OUGDKKIYXNBIPE-UHFFFAOYSA-N,
AKOS033557427,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.233g/mol |
| Monoisotopic Mass | 221.977g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 143A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number