| CAS Number | 2031259-10-4 |
| Catalog Number | AG01B79M |
| Chemical Name | 3-Methyl-5-(methylsulfanyl)furan-2-carboxylic acid |
| IUPAC Name | 3-methyl-5-methylsulfanylfuran-2-carboxylic acid |
| InChI | InChI=1S/C7H8O3S/c1-4-3-5(11-2)10-6(4)7(8)9/h3H,1-2H3,(H,8,9) |
| InChI Key | PQDSWMOTSAYILP-UHFFFAOYSA-N |
| MDL Number | MFCD09806066 |
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.2016 |
| SMILES | CSC1OC(C(O)=O)=C(C)C=1 |
| Synonyms | 3-methyl-5-(methylsulfanyl)furan-2-carboxylic acid,
2031259-10-4,
AKOS033976839,
ZINC521399204,
Z2680629394,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.019415g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.2g/mol |
| Monoisotopic Mass | 172.019415g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number