| CAS Number | 71154-33-1 |
| Catalog Number | AG006BD0(AGN-PC-0JTQQ7) |
| Chemical Name | 2-methanesulfonylthiophene-3-carboxylic acid |
| IUPAC Name | 2-methylsulfonylthiophene-3-carboxylic acid |
| InChI | InChI=1S/C6H6O4S2/c1-12(9,10)6-4(5(7)8)2-3-11-6/h2-3H,1H3,(H,7,8) |
| InChI Key | LTSDARSWFCHOEY-UHFFFAOYSA-N |
| MDL Number | MFCD06617853 |
| Molecular Formula | C6H6O4S2 |
| Molecular Weight | 206.2394 |
| SMILES | CS(C1=C(C(O)=O)C=CS1)(=O)=O |
| Synonyms | 3-Thiophenecarboxylic acid, 2-(methylsulfonyl)-,
71154-33-1,
AC1LD09L,
CTK2H3983,
A3933/0167416,
DTXSID60346118,
LTSDARSWFCHOEY-UHFFFAOYSA-N,
2-methylsulfonylthiophene-3-carboxylic,
AKOS001728667,
2-methylsulfonylthiophene-3-carboxylic acid,
2-(Methylsulfonyl)thiophene-3-carboxylic acid,
2-Methylsulphonyl-thiophene-3-carboxylic acid,
2-(Methylsulfonyl)-3-thiophenecarboxylic acid #,
CID609812,
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| 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
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Certificate of Analysis
Lot Number