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Home Other Building Blocks Ethyl 3-cyano-2-mercapto-6-methylisonicotinate

Ethyl 3-cyano-2-mercapto-6-methylisonicotinate

CAS No.:
56891-69-1
Catalog Number:
AG003Q7J
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
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Product Description
Catalog Number:
AG003Q7J
Chemical Name:
Ethyl 3-cyano-2-mercapto-6-methylisonicotinate
CAS Number:
56891-69-1
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD00052275
IUPAC Name:
ethyl 3-cyano-6-methyl-2-sulfanylidene-1H-pyridine-4-carboxylate
InChI:
InChI=1S/C10H10N2O2S/c1-3-14-10(13)7-4-6(2)12-9(15)8(7)5-11/h4H,3H2,1-2H3,(H,12,15)
InChI Key:
WBMMFDGNOQLZNF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)nc(c1C#N)S
Properties
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
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