| CAS Number | 1432677-74-1 |
| Catalog Number | AG01A4U4(AGN-PC-0WO9XB) |
| Chemical Name | Methyl 5-amino-4-methylthiophene-3-carboxylate |
| IUPAC Name | methyl 5-amino-4-methylthiophene-3-carboxylate |
| InChI | InChI=1S/C7H9NO2S/c1-4-5(7(9)10-2)3-11-6(4)8/h3H,8H2,1-2H3 |
| InChI Key | CQZPEBDZIWYWEL-UHFFFAOYSA-N |
| MDL Number | MFCD23774553 |
| Molecular Formula | C7H9NO2S |
| Molecular Weight | 171.2169 |
| SMILES | COC(C1C(C)=C(N)SC=1)=O |
| Synonyms | methyl 5-amino-4-methylthiophene-3-carboxylate,
1432677-74-1,
SCHEMBL16212923,
CQZPEBDZIWYWEL-UHFFFAOYSA-N,
ZINC86815135,
AKOS018361169,
NE31369,
AS-37265,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.214g/mol |
| Monoisotopic Mass | 171.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number