| CAS Number | 1303890-49-4 |
| Catalog Number | AG01ABJI(AGN-PC-0WODMP) |
| Chemical Name | 3-[(difluoromethyl)sulfanyl]thiophene-2-carboxylic acid |
| IUPAC Name | 3-(difluoromethylsulfanyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H4F2O2S2/c7-6(8)12-3-1-2-11-4(3)5(9)10/h1-2,6H,(H,9,10) |
| InChI Key | ONSJSDSGEMOCPN-UHFFFAOYSA-N |
| MDL Number | MFCD18089420 |
| Molecular Formula | C6H4F2O2S2 |
| Molecular Weight | 210.2216 |
| SMILES | O=C(C1=C(SC(F)F)C=CS1)O |
| Synonyms | 3-[(difluoromethyl)sulfanyl]thiophene-2-carboxylic acid,
1303890-49-4,
AC1Q72KS,
ZINC58037910,
AKOS026730463,
MCULE-4200763921,
NE46927,
EN300-71847,
Z1171978797,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.213g/mol |
| Monoisotopic Mass | 209.962g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number