methyl 2-amino-5-ethyl-4-methylthiophene-3-carboxylate

Iupac Name：methyl 2-amino-5-ethyl-4-methylthiophene-3-carboxylate

Molecular Weight：199.268

Modify Date.: 2022-02-13 02:40

1. Names and Identifiers

1.1 Name: methyl 2-amino-5-ethyl-4-methylthiophene-3-carboxylate
1.2 Synonyms: 2-Amino-5-ethyl-4-methyl-thiophene-3-carboxylic acid methyl ester 3-Thiophenecarboxylic acid, 2-amino-5-ethyl-4-methyl-, methyl ester AKOS000111632 KB-283062 KM5133 methyl 2-amino-5-ethyl-4-methyl-3-thiophenecarboxylate methyl 2-amino-5-ethyl-4-methylthiophene-3-carboxylate mfcd06653188 MOLPORT-000-147-977 STK893530 ZINC4235010

1.6 Inchi: InChI=1S/C9H13NO2S/c1-4-6-5(2)7(8(10)13-6)9(11)12-3/h4,10H2,1-3H3

2. Computational chemical data

Molecular Weight: 199.268g/mol
Molecular Formula: C₉H₁₃NO₂S
Compound Is Canonicalized: True
XLogP3-AA: 2.9
Exact Mass: 199.06669983
Monoisotopic Mass: 199.06669983
Complexity: 198
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 80.6
Heavy Atom Count: 13
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccByMABAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAHgQQAAAADACB2AICiYBABAiMAgDQSACDAIBkCBEAiBEATMgIJjqgtJmAEYBmwAEo6UeYSAAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==