2-Amino-3-carboethoxy-4-(3-methylphenyl)thiophene - CAS 255713-71-4
Catalog: |
BB054946 |
Product Name: |
2-Amino-3-carboethoxy-4-(3-methylphenyl)thiophene |
CAS: |
255713-71-4 |
Synonyms: |
Ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate; 2-Amino-3-carboethoxy-4-(3-methylphenyl)thiophene; Ethyl 2-amino-4-(m-tolyl)thiophene-3-carboxylate; Ethyl2-amino-4-(m-tolyl)thiophene-3-carboxylate |
IUPAC Name: | ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate |
Molecular Weight: | 261.34 |
Molecular Formula: | C14H15NO2S |
Canonical SMILES: | CCOC(=O)C1=C(SC=C1C2=CC=CC(=C2)C)N |
InChI: | InChI=1S/C14H15NO2S/c1-3-17-14(16)12-11(8-18-13(12)15)10-6-4-5-9(2)7-10/h4-8H,3,15H2,1-2H3 |
InChI Key: | RLFQMSHKFIHAAE-UHFFFAOYSA-N |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.08234989 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.08234989 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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