| CAS Number | 1193387-28-8 |
| Catalog Number | AG019WAJ(AGN-PC-0WORYS) |
| Chemical Name | 2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetic acid hydrochloride |
| IUPAC Name | 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C9H11NO2S.ClH/c11-9(12)6-10-3-1-8-7(5-10)2-4-13-8;/h2,4H,1,3,5-6H2,(H,11,12);1H |
| InChI Key | AUMXJHJQPIDYGZ-UHFFFAOYSA-N |
| MDL Number | MFCD12912940 |
| Molecular Formula | C9H12ClNO2S |
| Molecular Weight | 233.7151 |
| SMILES | Cl.OC(CN1CC2=C(SC=C2)CC1)=O |
| Synonyms | 2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetic acid hydrochloride,
1193387-28-8,
AC1Q3F0I,
CTK7J5020,
AKOS026742108,
NE51854,
EN300-51239,
J-004102,
2-(4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl)acetic acid hydrochloride,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.71g/mol |
| Monoisotopic Mass | 233.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number