| CAS Number | 37986-04-2 |
| Catalog Number | AG01E95J(AGN-PC-0WORDT) |
| Chemical Name | 5-methyl-4H,7H-thieno[3,2-b]pyridin-7-one |
| IUPAC Name | 5-methyl-4H-thieno[3,2-b]pyridin-7-one |
| InChI | InChI=1S/C8H7NOS/c1-5-4-7(10)8-6(9-5)2-3-11-8/h2-4H,1H3,(H,9,10) |
| InChI Key | JAFYEZHFGJPUDV-UHFFFAOYSA-N |
| MDL Number | MFCD21759581 |
| Molecular Formula | C8H7NOS |
| Molecular Weight | 165.2123 |
| SMILES | CC1NC2=C(SC=C2)C(=O)C=1 |
| Synonyms | 5-methyl-4H,7H-thieno[3,2-b]pyridin-7-one,
37986-04-2,
Thieno[3,2-b]pyridin-7(4H)-one, 5-methyl-,
ZINC85535254,
AKOS015695123,
MCULE-7915172440,
NE48292,
Z1824511099,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.21g/mol |
| Monoisotopic Mass | 165.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number