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142349-10-8 | 4(1H)-Quinolinethione, 1-methyl-3-(methylthio)-
CAS No: 142349-10-8 Catalog No: AG007JWW MDL No:
Product Description
Catalog Number:
AG007JWW
Chemical Name:
4(1H)-Quinolinethione, 1-methyl-3-(methylthio)-
CAS Number:
142349-10-8
Molecular Formula:
C11H11NS2
Molecular Weight:
221.3417
IUPAC Name:
1-methyl-3-methylsulfanylquinoline-4-thione
InChI:
InChI=1S/C11H11NS2/c1-12-7-10(14-2)11(13)8-5-3-4-6-9(8)12/h3-7H,1-2H3
InChI Key:
QSLCMEQZJWPOFU-UHFFFAOYSA-N
SMILES:
CSc1cn(C)c2c(c1=S)cccc2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.336g/mol
Monoisotopic Mass:
221.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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