| CAS Number | 872319-66-9 |
| Catalog Number | AG00GUDI |
| Chemical Name | Ethyl 3-amino-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate |
| IUPAC Name | ethyl 3-amino-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate |
| InChI | InChI=1S/C15H17NO4S/c1-4-20-15(17)14-10(16)8-13(21-14)9-5-6-11(18-2)12(7-9)19-3/h5-8H,4,16H2,1-3H3 |
| InChI Key | UMXKBFPCBWUFFY-UHFFFAOYSA-N |
| MDL Number | MFCD07339353 |
| Molecular Formula | C15H17NO4S |
| Molecular Weight | 307.3648 |
| SMILES | O=C(C1=C(N)C=C(C2=CC=C(OC)C(OC)=C2)S1)OCC |
| Synonyms | ethyl 3-amino-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate,
872319-66-9,
AC1OFJSB,
AC1Q330Q,
CTK6F7939,
ZINC4218234,
SBB078244,
AKOS005137441,
MCULE-8648910879,
NE25825,
BB 0218741,
EN300-14338,
J-520847,
Z99600458,
ZINC04218234,
CID7130687,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.364g/mol |
| Monoisotopic Mass | 307.088g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 99A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number