| CAS Number | 667435-71-4 |
| Catalog Number | AG00JDH8(AGN-PC-0WC1O2) |
| Chemical Name | Methyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate |
| IUPAC Name | methyl 2-[(2-cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate |
| InChI | InChI=1S/C11H12N2O3S/c1-3-7-6-8(11(15)16-2)10(17-7)13-9(14)4-5-12/h6H,3-4H2,1-2H3,(H,13,14) |
| InChI Key | ZNQDACKKEQFRKH-UHFFFAOYSA-N |
| MDL Number | MFCD03900443 |
| Molecular Formula | C11H12N2O3S |
| Molecular Weight | 252.2896 |
| SMILES | CCC1=CC(C(=O)OC)=C(NC(=O)CC#N)S1 |
| Synonyms | methyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate,
667435-71-4,
methyl 2-(2-cyanoacetamido)-5-ethylthiophene-3-carboxylate,
CTK7C9488,
ALBB-008588,
ZX-AN007495,
BBL017152,
MFCD03900443,
STK441374,
ZINC16989211,
AKOS003313096,
MCULE-7356717090,
TR-060653,
Z-1782,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.288g/mol |
| Monoisotopic Mass | 252.057g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number