| CAS Number | 1017049-62-5 |
| Catalog Number | AG01A888(AGN-PC-0WO5GQ) |
| Chemical Name | 3-amino-1-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}propan-1-one |
| IUPAC Name | 3-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one |
| InChI | InChI=1S/C10H14N2OS/c11-4-1-10(13)12-5-2-9-8(7-12)3-6-14-9/h3,6H,1-2,4-5,7,11H2 |
| InChI Key | WVMAXPGOSKVCLR-UHFFFAOYSA-N |
| MDL Number | MFCD09938104 |
| Molecular Formula | C10H14N2OS |
| Molecular Weight | 210.2960 |
| SMILES | NCCC(N1CC2=C(SC=C2)CC1)=O |
| Synonyms | 3-amino-1-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}propan-1-one,
1017049-62-5,
3-amino-1-(4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl)propan-1-one,
AC1Q548U,
CTK7E7055,
ZINC19477087,
AKOS000180843,
MCULE-6139352158,
NE51650,
EN300-60986,
Z927525866,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.295g/mol |
| Monoisotopic Mass | 210.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number