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Home Carboxys Diethyl 5-amino-3-methyl-2,4-thiophenedicarboxylate

Diethyl 5-amino-3-methyl-2,4-thiophenedicarboxylate

CAS No.:
4815-30-9
Catalog Number:
AG003PG0
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$19
- +
25g
97%
In Stock USA
United States
$44
- +
100g
97%
In Stock USA
United States
$144
- +
500g
97%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG003PG0
Chemical Name:
Diethyl 5-amino-3-methyl-2,4-thiophenedicarboxylate
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
Properties