| CAS Number | 98257-18-2 |
| Catalog Number | AG01AHNE(AGN-PC-09LHVX) |
| Chemical Name | Methyl 5-amino-4-cyanothiophene-2-carboxylate |
| IUPAC Name | methyl 5-amino-4-cyanothiophene-2-carboxylate |
| InChI | InChI=1S/C7H6N2O2S/c1-11-7(10)5-2-4(3-8)6(9)12-5/h2H,9H2,1H3 |
| InChI Key | DGPUEEBVMOWLDW-UHFFFAOYSA-N |
| MDL Number | MFCD18785539 |
| Molecular Formula | C7H6N2O2S |
| Molecular Weight | 182.1997 |
| SMILES | COC(C1SC(N)=C(C#N)C=1)=O |
| Synonyms | methyl 5-amino-4-cyanothiophene-2-carboxylate,
98257-18-2,
ZINC62152134,
AKOS026726627,
MCULE-3057764626,
NE43097,
EN300-75255,
Z1267773779,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.197g/mol |
| Monoisotopic Mass | 182.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number