Home Carboxys Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate

Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate

CAS No.:
103765-33-9
Catalog Number:
AG0085F6
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$75
- +
5g
99%
1 week
United States
$163
- +
Product Description
Catalog Number:
AG0085F6
Chemical Name:
Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
CAS Number:
103765-33-9
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD00159553
IUPAC Name:
dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
InChI:
InChI=1S/C9H11NO4S/c1-4-5(8(11)13-2)7(10)15-6(4)9(12)14-3/h10H2,1-3H3
InChI Key:
JNLHLSOENLVUIJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1C)C(=O)OC)N
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties