| CAS Number | 926216-36-6 |
| Catalog Number | AG01A8E6 |
| Chemical Name | 4-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}aniline |
| IUPAC Name | 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline |
| InChI | InChI=1S/C13H14N2S/c14-11-1-3-12(4-2-11)15-7-5-13-10(9-15)6-8-16-13/h1-4,6,8H,5,7,9,14H2 |
| InChI Key | ZRAXQPNEXXVMQA-UHFFFAOYSA-N |
| MDL Number | MFCD09048226 |
| Molecular Formula | C13H14N2S |
| Molecular Weight | 230.3287 |
| SMILES | NC1=CC=C(N2CC3=C(SC=C3)CC2)C=C1 |
| Synonyms | 4-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}aniline,
926216-36-6,
AC1Q51W4,
CTK7D7547,
ZINC22143114,
AKOS000131683,
MCULE-5298219083,
NE14193,
EN300-61414,
4-(4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl)aniline,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.329g/mol |
| Monoisotopic Mass | 230.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number