| CAS Number | 944895-25-4 |
| Catalog Number | AG01AH7H(AGN-PC-0WNL8H) |
| Chemical Name | 3-(dimethylsulfamoyl)thiophene-2-carboxylic acid |
| IUPAC Name | 3-(dimethylsulfamoyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C7H9NO4S2/c1-8(2)14(11,12)5-3-4-13-6(5)7(9)10/h3-4H,1-2H3,(H,9,10) |
| InChI Key | UGCJHSBYOHIRMG-UHFFFAOYSA-N |
| MDL Number | MFCD09455187 |
| Molecular Formula | C7H9NO4S2 |
| Molecular Weight | 235.2807 |
| SMILES | CN(S(C1=C(C(O)=O)SC=C1)(=O)=O)C |
| Synonyms | 3-[(Dimethylamino)sulfonyl]thiophene-2-carboxylic acid,
944895-25-4,
3-(dimethylsulfamoyl)thiophene-2-carboxylic acid,
CTK6I1298,
3944AF,
ZINC15424053,
AKOS004122084,
MCULE-7379459352,
NE30761,
TR-053860,
BB 0259419,
EN300-73919,
3-(N,N-Dimethylsulfamoyl)thiophene-2-carboxylic acid,
Z227840048,
C7H9NO4S2,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.272g/mol |
| Monoisotopic Mass | 234.997g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number