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29530-00-5 | 1,3,5-Triazine-2,4(1H,3H)-dithione, 6-(didodecylamino)-
CAS No: 29530-00-5 Catalog No: AG002YO1 MDL No:
Product Description
Catalog Number:
AG002YO1
Chemical Name:
1,3,5-Triazine-2,4(1H,3H)-dithione, 6-(didodecylamino)-
CAS Number:
29530-00-5
Molecular Formula:
C27H52N4S2
Molecular Weight:
496.8586
IUPAC Name:
6-(didodecylamino)-1H-1,3,5-triazine-2,4-dithione
InChI:
InChI=1S/C27H52N4S2/c1-3-5-7-9-11-13-15-17-19-21-23-31(25-28-26(32)30-27(33)29-25)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H2,28,29,30,32,33)
InChI Key:
NBQIKAOXYCPYQX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN(c1nc(=S)[nH]c(=S)[nH]1)CCCCCCCCCCCC
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.363g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
496.861g/mol
Monoisotopic Mass:
496.363g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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