| CAS Number | 923748-01-0 |
| Catalog Number | AG019L9W |
| Chemical Name | Dimethyl 5-(aminosulfonyl)-3-methylthiophene-2,4-dicarboxylate |
| IUPAC Name | dimethyl 3-methyl-5-sulfamoylthiophene-2,4-dicarboxylate |
| InChI | InChI=1S/C9H11NO6S2/c1-4-5(7(11)15-2)9(18(10,13)14)17-6(4)8(12)16-3/h1-3H3,(H2,10,13,14) |
| InChI Key | DWCMEZSUSYUHEG-UHFFFAOYSA-N |
| MDL Number | MFCD08444609 |
| Molecular Formula | C9H11NO6S2 |
| Molecular Weight | 293.3167 |
| SMILES | COC(C1=C(C)C(C(OC)=O)=C(S(N)(=O)=O)S1)=O |
| Synonyms | 2,4-dimethyl 3-methyl-5-sulfamoylthiophene-2,4-dicarboxylate,
dimethyl 5-(aminosulfonyl)-3-methylthiophene-2,4-dicarboxylate,
923748-01-0,
AC1Q41X3,
CTK6J1434,
ZINC12970877,
AKOS000142505,
MCULE-9489814407,
NE36587,
EN300-30557,
dimethyl 3-methyl-5-sulfamoylthiophene-2,4-dicarboxylate,
2,4-dimethyl-3-methyl-5-sulfamoylthiophene-2,4-dicarboxylate,
|
| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.308g/mol |
| Monoisotopic Mass | 293.003g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 149A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number