| CAS Number | 773129-18-3 |
| Catalog Number | AG01E7T0 |
| Chemical Name | (2E)-3-[5-(methylsulfanyl)thiophen-2-yl]prop-2-enoic acid |
| IUPAC Name | (E)-3-(5-methylsulfanylthiophen-2-yl)prop-2-enoic acid |
| InChI | InChI=1S/C8H8O2S2/c1-11-8-5-3-6(12-8)2-4-7(9)10/h2-5H,1H3,(H,9,10)/b4-2+ |
| InChI Key | UBYDPHUHZSKWNO-DUXPYHPUSA-N |
| MDL Number | MFCD06205302 |
| Molecular Formula | C8H8O2S2 |
| Molecular Weight | 200.2779 |
| SMILES | CSC1SC(/C=C/C(O)=O)=CC=1 |
| Synonyms | (2E)-3-[5-(methylsulfanyl)thiophen-2-yl]prop-2-enoic acid,
773129-18-3,
ZINC44201134,
AKOS033982908,
Z2692095077,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 199.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.27g/mol |
| Monoisotopic Mass | 199.997g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number