2-Ethyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate - CAS 438532-50-4
Catalog: |
BB044719 |
Product Name: |
2-Ethyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate |
CAS: |
438532-50-4 |
Synonyms: |
2-Ethyl 4-propyl 5-amino-3-methyl-2,4-thiophenedicarboxylate; ethyl 5-amino-3-methyl-4-(propoxycarbonyl)thiophene-2-carboxylate; 5-Amino-3-methyl-thiophene-2,4-dicarboxylic acid 2-ethyl ester 4-propyl ester; Thiophene-2,4-dicarboxylic acid, 5-amino-3-methyl-, 2-ethyl-5-propyl ester |
IUPAC Name: | 2-O-ethyl 4-O-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate |
Description: | 2-Ethyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate (CAS# 438532-50-4 ) is a useful research chemical. |
Molecular Weight: | 271.33 |
Molecular Formula: | C12H17NO4S |
Canonical SMILES: | CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N |
InChI: | InChI=1S/C12H17NO4S/c1-4-6-17-11(14)8-7(3)9(18-10(8)13)12(15)16-5-2/h4-6,13H2,1-3H3 |
InChI Key: | XETZILRZRLFFIY-UHFFFAOYSA-N |
Boiling Point: | 385.7±37.0 ℃ at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0878292 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0878292 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 107 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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