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16715-81-4 | 1,3,5-Triazine, 2,4,6-tris[3-(dodecylthio)propoxy]-
CAS No: 16715-81-4 Catalog No: AG001X5U MDL No:
Product Description
Catalog Number:
AG001X5U
Chemical Name:
1,3,5-Triazine, 2,4,6-tris[3-(dodecylthio)propoxy]-
CAS Number:
16715-81-4
Molecular Formula:
C48H93N3O3S3
Molecular Weight:
856.4653
IUPAC Name:
2,4,6-tris(3-dodecylsulfanylpropoxy)-1,3,5-triazine
InChI:
InChI=1S/C48H93N3O3S3/c1-4-7-10-13-16-19-22-25-28-31-40-55-43-34-37-52-46-49-47(53-38-35-44-56-41-32-29-26-23-20-17-14-11-8-5-2)51-48(50-46)54-39-36-45-57-42-33-30-27-24-21-18-15-12-9-6-3/h4-45H2,1-3H3
InChI Key:
RHICLABPLXREHW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSCCCOc1nc(OCCCSCCCCCCCCCCCC)nc(n1)OCCCSCCCCCCCCCCCC
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
855.638g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
856.47g/mol
Monoisotopic Mass:
855.638g/mol
Rotatable Bond Count:
48
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.7
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