| CAS Number | 21984-78-1 |
| Catalog Number | AG01AHC3(AGN-PC-040HGZ) |
| Chemical Name | 5-(Methylsulfanyl)furan-2-carboxylic acid |
| IUPAC Name | 5-methylsulfanylfuran-2-carboxylic acid |
| InChI | InChI=1S/C6H6O3S/c1-10-5-3-2-4(9-5)6(7)8/h2-3H,1H3,(H,7,8) |
| InChI Key | PNYVTYSSGKJUSE-UHFFFAOYSA-N |
| MDL Number | MFCD16692249 |
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.1750 |
| SMILES | CSC1OC(C(O)=O)=CC=1 |
| Synonyms | 5-(methylsulfanyl)furan-2-carboxylic acid,
21984-78-1,
2-Furancarboxylic acid, 5-(methylthio)-,
5-(methylthio)-2-furoic acid,
SCHEMBL6471658,
ZINC50909683,
AKOS008153593,
MCULE-8022399251,
NE30459,
EN300-74288,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.171g/mol |
| Monoisotopic Mass | 158.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number