| CAS Number | 60166-80-5 |
| Catalog Number | AG01ABHU(AGN-PC-00MHF0) |
| Chemical Name | 3-(Methylsulfanyl)thiophene-2-carboxylic acid |
| IUPAC Name | 3-methylsulfanylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H6O2S2/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H,7,8) |
| InChI Key | XQKCWVLJMUAEPF-UHFFFAOYSA-N |
| MDL Number | MFCD18089407 |
| Molecular Formula | C6H6O2S2 |
| Molecular Weight | 174.2406 |
| SMILES | CSC1=C(C(O)=O)SC=C1 |
| Synonyms | 3-(methylsulfanyl)thiophene-2-carboxylic acid,
60166-80-5,
3-(methylthio)thiophene-2-carboxylic acid,
AC1Q4GWW,
SCHEMBL7246054,
CTK2F1265,
DTXSID50540103,
XQKCWVLJMUAEPF-UHFFFAOYSA-N,
ZINC39644195,
AKOS022638979,
NE34606,
3-Methylthio-2-thiophenecarboxylic acid,
2-Thiophenecarboxylic acid, 3-(methylthio)-,
3-methylmercapto-2-thiophene carboxylic acid,
3-methylsulfanyl-thiophene-2-carboxylic acid,
3-(methylsulfanyl)-2-thiophenecarboxylic acid,
EN300-71661,
Z1171978812,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.232g/mol |
| Monoisotopic Mass | 173.981g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 90.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number