| CAS Number | 926211-42-9 |
| Catalog Number | AG019L4I |
| Chemical Name | 6-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}pyridin-3-amine |
| IUPAC Name | 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine |
| InChI | InChI=1S/C12H13N3S/c13-10-1-2-12(14-7-10)15-5-3-11-9(8-15)4-6-16-11/h1-2,4,6-7H,3,5,8,13H2 |
| InChI Key | VEJCYGREDNZFMG-UHFFFAOYSA-N |
| MDL Number | MFCD09050249 |
| Molecular Formula | C12H13N3S |
| Molecular Weight | 231.3167 |
| SMILES | NC1=CN=C(N2CC3=C(SC=C3)CC2)C=C1 |
| Synonyms | 6-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}pyridin-3-amine,
926211-42-9,
6-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)pyridin-3-amine,
AC1Q52H7,
CTK7D8196,
ZINC12778440,
AKOS000134183,
MCULE-4006139954,
EN300-29796,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.317g/mol |
| Monoisotopic Mass | 231.083g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number