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Home Other Building Blocks 8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

CAS No.:
302936-27-2
Catalog Number:
AG019ITX
Molecular Formula:
C12H11N3OS
Molecular Weight:
245.3002
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Product Description
Catalog Number:
AG019ITX
Chemical Name:
8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS Number:
302936-27-2
Molecular Formula:
C12H11N3OS
Molecular Weight:
245.3002
MDL Number:
MFCD06654988
IUPAC Name:
8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
InChI:
InChI=1S/C12H11N3OS/c1-7-5-11-13-14-12(17)15(11)10-6-8(16-2)3-4-9(7)10/h3-6H,1-2H3,(H,14,17)
InChI Key:
PSFXBSNENTWMFO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n1c(S)nnc1cc2C
Properties
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.3g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
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