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139323-30-1 | 1,3,5-Triazine, 2,4,6-tris[[(ethenylphenyl)methyl]thio]-
CAS No: 139323-30-1 Catalog No: AG001AR1 MDL No:
Product Description
Catalog Number:
AG001AR1
Chemical Name:
1,3,5-Triazine, 2,4,6-tris[[(ethenylphenyl)methyl]thio]-
CAS Number:
139323-30-1
Molecular Formula:
C30H27N3S3
Molecular Weight:
525.7505
IUPAC Name:
2,4,6-tris[(2-ethenylphenyl)methylsulfanyl]-1,3,5-triazine
InChI:
InChI=1S/C30H27N3S3/c1-4-22-13-7-10-16-25(22)19-34-28-31-29(35-20-26-17-11-8-14-23(26)5-2)33-30(32-28)36-21-27-18-12-9-15-24(27)6-3/h4-18H,1-3,19-21H2
InChI Key:
ICGSCQOOSOHIII-UHFFFAOYSA-N
SMILES:
C=Cc1ccccc1CSc1nc(SCc2ccccc2C=C)nc(n1)SCc1ccccc1C=C
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
525.137g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
525.747g/mol
Monoisotopic Mass:
525.137g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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