| CAS Number | 953757-10-3 |
| Catalog Number | AG018RUB(AGN-PC-0WBPS5) |
| Chemical Name | 3-Chloro-1-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}propan-1-one |
| IUPAC Name | 3-chloro-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one |
| InChI | InChI=1S/C10H12ClNOS/c11-4-1-10(13)12-5-2-9-8(7-12)3-6-14-9/h3,6H,1-2,4-5,7H2 |
| InChI Key | AHJDNRQYCDLFQB-UHFFFAOYSA-N |
| MDL Number | MFCD09732941 |
| Molecular Formula | C10H12ClNOS |
| Molecular Weight | 229.7264 |
| SMILES | ClCCC(N1CC2=C(SC=C2)CC1)=O |
| Synonyms | 3-chloro-1-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}propan-1-one,
953757-10-3,
AC1Q3UEI,
CTK6H7248,
ZINC22176341,
AKOS000140685,
NE17773,
EN300-51306,
F8880-5851,
1-Propanone, 3-chloro-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl),
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.722g/mol |
| Monoisotopic Mass | 229.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number