| CAS Number | 1047076-60-7 |
| Catalog Number | AG01C5XK |
| Chemical Name | 4-(cyclopropylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
| IUPAC Name | 4-(cyclopropylmethyl)thieno[3,2-b]pyrrole-5-carboxylic acid |
| InChI | InChI=1S/C11H11NO2S/c13-11(14)9-5-10-8(3-4-15-10)12(9)6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14) |
| InChI Key | MRKJSPWOIHDBTH-UHFFFAOYSA-N |
| MDL Number | MFCD14236896 |
| Molecular Formula | C11H11NO2S |
| Molecular Weight | 221.2755 |
| SMILES | OC(C1N(CC2CC2)C2=C(SC=C2)C=1)=O |
| Synonyms | 4-(cyclopropylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid,
1047076-60-7,
ZINC37263330,
AKOS026706374,
F1907-0481,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.274g/mol |
| Monoisotopic Mass | 221.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number