5-Amino-4-cyano-2-(methoxycarbonyl)-3-thiopheneacetic Acid Methyl Ester - CAS 674773-12-7
Catalog: |
BB074923 |
Product Name: |
5-Amino-4-cyano-2-(methoxycarbonyl)-3-thiopheneacetic Acid Methyl Ester |
CAS: |
674773-12-7 |
Synonyms: |
methyl 5-amino-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate; METHYL 5-AMINO-4-CYANO-3-(2-METHOXY-2-OXOETHYL)-THIOPHENE-2-CARBOXYLATE; 5-amino-4-cyano-2-(methoxycarbonyl)-3-thiopheneacetic acid methyl ester |
IUPAC Name: | methyl 5-amino-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate |
Molecular Weight: | 254.26 |
Molecular Formula: | C10H10N2O4S |
Canonical SMILES: | COC(=O)CC1=C(SC(=C1C#N)N)C(=O)OC |
InChI: | InChI=1S/C10H10N2O4S/c1-15-7(13)3-5-6(4-11)9(12)17-8(5)10(14)16-2/h3,12H2,1-2H3 |
InChI Key: | BLYLWUDQKYBGJD-UHFFFAOYSA-N |
Melting Point: | >138°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Dark Beige Solid |
Storage: | 4°C |
Complexity: | 365 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.03612798 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.03612798 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 131Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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