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84217-70-9 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-[5-ethyl-2-(methylthio)-4-thiazolyl]-
CAS No: 84217-70-9 Catalog No: AG008GMM MDL No:
Product Description
Catalog Number:
AG008GMM
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-[5-ethyl-2-(methylthio)-4-thiazolyl]-
CAS Number:
84217-70-9
Molecular Formula:
C20H29NOS2
Molecular Weight:
363.5804
IUPAC Name:
2,6-ditert-butyl-4-(5-ethyl-2-methylsulfanyl-1,3-thiazol-4-yl)phenol
InChI:
InChI=1S/C20H29NOS2/c1-9-15-16(21-18(23-8)24-15)12-10-13(19(2,3)4)17(22)14(11-12)20(5,6)7/h10-11,22H,9H2,1-8H3
InChI Key:
KBTPVSHZHRZULO-UHFFFAOYSA-N
SMILES:
CCc1sc(nc1c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)SC
Properties
Complexity:
391
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:
7.3
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