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137376-16-0 | 2-Quinolinesulfenamide, N-(1,1-dimethylethyl)-N-(2-quinolinylthio)-
CAS No: 137376-16-0 Catalog No: AG001377 MDL No:
Product Description
Catalog Number:
AG001377
Chemical Name:
2-Quinolinesulfenamide, N-(1,1-dimethylethyl)-N-(2-quinolinylthio)-
CAS Number:
137376-16-0
Molecular Formula:
C22H21N3S2
Molecular Weight:
391.5522
IUPAC Name:
2-methyl-N,N-bis(quinolin-2-ylsulfanyl)propan-2-amine
InChI:
InChI=1S/C22H21N3S2/c1-22(2,3)25(26-20-14-12-16-8-4-6-10-18(16)23-20)27-21-15-13-17-9-5-7-11-19(17)24-21/h4-15H,1-3H3
InChI Key:
AFOFEBKMCCDLOS-UHFFFAOYSA-N
SMILES:
CC(N(Sc1ccc2c(n1)cccc2)Sc1ccc2c(n1)cccc2)(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.118g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.551g/mol
Monoisotopic Mass:
391.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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