| CAS Number | 192879-33-7 |
| Catalog Number | AG002GEY(AGN-PC-024XM4) |
| Chemical Name | 3-Thiophenecarboxylic acid, 5-amino-, methyl ester |
| IUPAC Name | methyl 5-aminothiophene-3-carboxylate |
| InChI | InChI=1S/C6H7NO2S/c1-9-6(8)4-2-5(7)10-3-4/h2-3H,7H2,1H3 |
| InChI Key | GFERXXPZQYBEBF-UHFFFAOYSA-N |
| MDL Number | MFCD17276535 |
| Molecular Formula | C6H7NO2S |
| Molecular Weight | 157.1903 |
| SMILES | NC1=CC(=CS1)C(=O)OC |
| Synonyms | methyl 5-aminothiophene-3-carboxylate,
192879-33-7,
5-amino-thiophene-3-carboxylic acid methyl ester,
3-Thiophenecarboxylic acid, 5-amino-, methyl ester,
SCHEMBL3107550,
GFERXXPZQYBEBF-UHFFFAOYSA-N,
MFCD17276535,
ZINC39088051,
AKOS012322364,
MCULE-5616210106,
NE35283,
RP22110,
3-Thiophenecarboxylic acid, 5-amino-, methyl ester (9CI),
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.187g/mol |
| Monoisotopic Mass | 157.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number