| CAS Number | 152538-40-4 |
| Catalog Number | AG01A3RR(AGN-PC-0WOA3U) |
| Chemical Name | 5-Methanesulfonylthiophene-3-carboxylic acid |
| IUPAC Name | 5-methylsulfonylthiophene-3-carboxylic acid |
| InChI | InChI=1S/C6H6O4S2/c1-12(9,10)5-2-4(3-11-5)6(7)8/h2-3H,1H3,(H,7,8) |
| InChI Key | APNHITGMDOIMJN-UHFFFAOYSA-N |
| MDL Number | MFCD23144078 |
| Molecular Formula | C6H6O4S2 |
| Molecular Weight | 206.2394 |
| SMILES | O=C(C1=CSC(S(=O)(C)=O)=C1)O |
| Synonyms | 5-methanesulfonylthiophene-3-carboxylic acid,
152538-40-4,
ZINC84239218,
AKOS023400796,
MCULE-4280243735,
NE27853,
Z1558209795,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.23g/mol |
| Monoisotopic Mass | 205.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number