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140618-98-0 | 2(1H)-Quinolinethione, 6,6'-dithiobis[3,4-dihydro-1-methyl- (9CI)
CAS No: 140618-98-0 Catalog No: AG001CK2 MDL No:
Product Description
Catalog Number:
AG001CK2
Chemical Name:
2(1H)-Quinolinethione, 6,6'-dithiobis[3,4-dihydro-1-methyl- (9CI)
CAS Number:
140618-98-0
Molecular Formula:
C20H20N2S4
Molecular Weight:
416.6462
IUPAC Name:
1-methyl-6-[(1-methyl-2-sulfanylidene-3,4-dihydroquinolin-6-yl)disulfanyl]-3,4-dihydroquinoline-2-thione
InChI:
InChI=1S/C20H20N2S4/c1-21-17-7-5-15(11-13(17)3-9-19(21)23)25-26-16-6-8-18-14(12-16)4-10-20(24)22(18)2/h5-8,11-12H,3-4,9-10H2,1-2H3
InChI Key:
WFHMOUCCBAOQPV-UHFFFAOYSA-N
SMILES:
S=C1CCc2c(N1C)ccc(c2)SSc1ccc2c(c1)CCC(=S)N2C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.051g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.634g/mol
Monoisotopic Mass:
416.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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