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86474-67-1 | Quinoline, 3-(methylthio)-4-[[4-(methylthio)-3-quinolinyl]thio]-
CAS No: 86474-67-1 Catalog No: AG004MQC MDL No:
Product Description
Catalog Number:
AG004MQC
Chemical Name:
Quinoline, 3-(methylthio)-4-[[4-(methylthio)-3-quinolinyl]thio]-
CAS Number:
86474-67-1
Molecular Formula:
C20H16N2S3
Molecular Weight:
380.5494
IUPAC Name:
3-methylsulfanyl-4-(4-methylsulfanylquinolin-3-yl)sulfanylquinoline
InChI:
InChI=1S/C20H16N2S3/c1-23-17-11-21-16-10-6-4-8-14(16)20(17)25-18-12-22-15-9-5-3-7-13(15)19(18)24-2/h3-12H,1-2H3
InChI Key:
MJRUBAZNPRHLBH-UHFFFAOYSA-N
SMILES:
CSc1c(cnc2c1cccc2)Sc1c(SC)cnc2c1cccc2
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.048g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.542g/mol
Monoisotopic Mass:
380.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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