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610275-87-1

610275-87-1 | 5,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

CAS No: 610275-87-1 Catalog No: AG019QBL MDL No:MFCD06254267

Product Description

Catalog Number:
AG019QBL
Chemical Name:
5,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
CAS Number:
610275-87-1
Molecular Formula:
C12H11N3S
Molecular Weight:
229.3008
MDL Number:
MFCD06254267
IUPAC Name:
5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
InChI:
InChI=1S/C12H11N3S/c1-7-3-4-10-9(5-7)8(2)6-11-13-14-12(16)15(10)11/h3-6H,1-2H3,(H,14,16)
InChI Key:
YGKGTENWRAQVDU-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(C)cc1n2c(S)nn1

Properties

Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.067g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.301g/mol
Monoisotopic Mass:
229.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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