| CAS Number | 350997-35-2 |
| Catalog Number | AG00C6N5 |
| Chemical Name | ethyl 2-amino-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate |
| IUPAC Name | ethyl 2-amino-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate |
| InChI | InChI=1S/C15H17NO2S/c1-4-18-15(17)13-12(10(3)19-14(13)16)11-7-5-9(2)6-8-11/h5-8H,4,16H2,1-3H3 |
| InChI Key | UFBPTRLHPVERBQ-UHFFFAOYSA-N |
| MDL Number | MFCD01993633 |
| Molecular Formula | C15H17NO2S |
| Molecular Weight | 275.3660 |
| SMILES | O=C(C1=C(N)SC(C)=C1C2=CC=C(C)C=C2)OCC |
| Synonyms | ethyl 2-amino-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate,
350997-35-2,
AC1M68DU,
AC1Q335L,
CTK6F5396,
ZINC3277812,
AKOS002665139,
MCULE-1684568064,
NE12014,
EN300-08404,
J-520705,
Z56919258,
Ethyl 2-amino-5-methyl-4-(p-tolyl)thiophene-3-carboxylate,
ZINC03277812,
CID2393286,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.366g/mol |
| Monoisotopic Mass | 275.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number