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Methyl 2-amino-4-phenylthiophene-3-carboxylate

CAS No.:
67171-55-5
Catalog Number:
AG00F9WF
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$92
- +
5g
95%
1 week
United States
$198
- +
Product Description
Catalog Number:
AG00F9WF
Chemical Name:
Methyl 2-amino-4-phenylthiophene-3-carboxylate
CAS Number:
67171-55-5
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD01050444
IUPAC Name:
methyl 2-amino-4-phenylthiophene-3-carboxylate
InChI:
InChI=1S/C12H11NO2S/c1-15-12(14)10-9(7-16-11(10)13)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChI Key:
KHNSKPUYBBZGLW-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(N)scc1c1ccccc1
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
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
Properties