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84217-80-1 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(methylthio)-5-phenyl-4-thiazolyl]-
CAS No: 84217-80-1 Catalog No: AG004RJR MDL No:
Product Description
Catalog Number:
AG004RJR
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(methylthio)-5-phenyl-4-thiazolyl]-
CAS Number:
84217-80-1
Molecular Formula:
C24H29NOS2
Molecular Weight:
411.6232
IUPAC Name:
2,6-ditert-butyl-4-(2-methylsulfanyl-5-phenyl-1,3-thiazol-4-yl)phenol
InChI:
InChI=1S/C24H29NOS2/c1-23(2,3)17-13-16(14-18(20(17)26)24(4,5)6)19-21(28-22(25-19)27-7)15-11-9-8-10-12-15/h8-14,26H,1-7H3
InChI Key:
MOLBOLKFXJSFKZ-UHFFFAOYSA-N
SMILES:
CSc1nc(c(s1)c1ccccc1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.169g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.622g/mol
Monoisotopic Mass:
411.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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