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4815-30-9 | Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
CAS No: 4815-30-9 Catalog No: AG003PG0 MDL No:MFCD00005450
Product Description
Catalog Number:
AG003PG0
Chemical Name:
Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
CAS Number:
4815-30-9
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD00005450
IUPAC Name:
diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
InChI:
InChI=1S/C11H15NO4S/c1-4-15-10(13)7-6(3)8(17-9(7)12)11(14)16-5-2/h4-5,12H2,1-3H3
InChI Key:
DGVXLHAJVRRLGV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(c(c1C)C(=O)OCC)N
EC Number:
225-388-0
NSC Number:
149763
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Diethyl 5-acetamido-3-methyl-thio-phene-2,4-dicarboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20101201 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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