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84217-68-5 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-[(1-methylethyl)thio]-4-thiazolyl]-
CAS No: 84217-68-5 Catalog No: AG004OD6 MDL No:
Product Description
Catalog Number:
AG004OD6
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-[(1-methylethyl)thio]-4-thiazolyl]-
CAS Number:
84217-68-5
Molecular Formula:
C20H29NOS2
Molecular Weight:
363.5804
IUPAC Name:
2,6-ditert-butyl-4-(2-propan-2-ylsulfanyl-1,3-thiazol-4-yl)phenol
InChI:
InChI=1S/C20H29NOS2/c1-12(2)24-18-21-16(11-23-18)13-9-14(19(3,4)5)17(22)15(10-13)20(6,7)8/h9-12,22H,1-8H3
InChI Key:
DLMYJKNNAWQHIQ-UHFFFAOYSA-N
SMILES:
CC(Sc1scc(n1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.578g/mol
Monoisotopic Mass:
363.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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