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64215-48-1

64215-48-1 | 4,7-dimethylquinoline-2-thiol

CAS No: 64215-48-1 Catalog No: AG019JLO MDL No:MFCD06254384

Product Description

Catalog Number:
AG019JLO
Chemical Name:
4,7-dimethylquinoline-2-thiol
CAS Number:
64215-48-1
Molecular Formula:
C11H11NS
Molecular Weight:
189.2767
MDL Number:
MFCD06254384
IUPAC Name:
4,7-dimethyl-1H-quinoline-2-thione
InChI:
InChI=1S/C11H11NS/c1-7-3-4-9-8(2)6-11(13)12-10(9)5-7/h3-6H,1-2H3,(H,12,13)
InChI Key:
VBWHJNKSSZEICG-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(cc2C)S

Properties

Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.061g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.276g/mol
Monoisotopic Mass:
189.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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

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