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86906-95-8 | 1,3,5-Triazin-2-amine, 4,6-bis[(1-methylethyl)dithio]-N-phenyl-
CAS No: 86906-95-8 Catalog No: AG004I5S MDL No:
Product Description
Catalog Number:
AG004I5S
Chemical Name:
1,3,5-Triazin-2-amine, 4,6-bis[(1-methylethyl)dithio]-N-phenyl-
CAS Number:
86906-95-8
Molecular Formula:
C15H20N4S4
Molecular Weight:
384.6061
IUPAC Name:
N-phenyl-4,6-bis(propan-2-yldisulfanyl)-1,3,5-triazin-2-amine
InChI:
InChI=1S/C15H20N4S4/c1-10(2)20-22-14-17-13(16-12-8-6-5-7-9-12)18-15(19-14)23-21-11(3)4/h5-11H,1-4H3,(H,16,17,18,19)
InChI Key:
VDUDJIPYWJBDFT-UHFFFAOYSA-N
SMILES:
CC(SSc1nc(nc(n1)SSC(C)C)Nc1ccccc1)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.057g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.593g/mol
Monoisotopic Mass:
384.057g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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