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568570-16-1

568570-16-1 | 2(1H)-Quinolinethione,4,6,8-trimethyl-(9CI)

CAS No: 568570-16-1 Catalog No: AG00EY9B MDL No:MFCD08758442

Product Description

Catalog Number:
AG00EY9B
Chemical Name:
2(1H)-Quinolinethione,4,6,8-trimethyl-(9CI)
CAS Number:
568570-16-1
Molecular Formula:
C12H13NS
Molecular Weight:
203.3033
MDL Number:
MFCD08758442
IUPAC Name:
4,6,8-trimethyl-1H-quinoline-2-thione
InChI:
InChI=1S/C12H13NS/c1-7-4-9(3)12-10(5-7)8(2)6-11(14)13-12/h4-6H,1-3H3,(H,13,14)
InChI Key:
GZLWESBHRVYTQR-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)c(C)cc(=S)[nH]2

Properties

Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.077g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.303g/mol
Monoisotopic Mass:
203.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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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