| CAS Number | 1048468-39-8 |
| Catalog Number | AG01C5XL |
| Chemical Name | 4-(cyclopropylmethyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
| IUPAC Name | 4-(cyclopropylmethyl)-2-methylthieno[3,2-b]pyrrole-5-carboxylic acid |
| InChI | InChI=1S/C12H13NO2S/c1-7-4-9-11(16-7)5-10(12(14)15)13(9)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,14,15) |
| InChI Key | IXFSGYJYYJIUGG-UHFFFAOYSA-N |
| MDL Number | MFCD14236900 |
| Molecular Formula | C12H13NO2S |
| Molecular Weight | 235.3021 |
| SMILES | CC1SC2=C(N(C(C(O)=O)=C2)CC2CC2)C=1 |
| Synonyms | ZINC37263334,
AKOS026706375,
F1907-0482,
4-(cyclopropylmethyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid,
1048468-39-8,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.301g/mol |
| Monoisotopic Mass | 235.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number