| CAS Number | 1955522-75-4 |
| Catalog Number | AG01C65N |
| Chemical Name | 2-methyl-4-(2,2,2-trifluoroethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
| IUPAC Name | 2-methyl-4-(2,2,2-trifluoroethyl)thieno[3,2-b]pyrrole-5-carboxylic acid |
| InChI | InChI=1S/C10H8F3NO2S/c1-5-2-6-8(17-5)3-7(9(15)16)14(6)4-10(11,12)13/h2-3H,4H2,1H3,(H,15,16) |
| InChI Key | VDWDAPFVTHYTQD-UHFFFAOYSA-N |
| MDL Number | MFCD29045946 |
| Molecular Formula | C10H8F3NO2S |
| Molecular Weight | 263.2362 |
| SMILES | CC1SC2=C(N(C(C(O)=O)=C2)CC(F)(F)F)C=1 |
| Synonyms | 2-methyl-4-(2,2,2-trifluoroethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid,
1955522-75-4,
AKOS026706377,
ZINC328579655,
F1907-0484,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.022784g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.24g/mol |
| Monoisotopic Mass | 263.022784g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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