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Home > Imidazoles > 84203-46-3
84203-46-3 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(methylthio)-1H-imidazol-4-yl]-
CAS No: 84203-46-3 Catalog No: AG008GNS MDL No:
Product Description
Catalog Number:
AG008GNS
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(methylthio)-1H-imidazol-4-yl]-
CAS Number:
84203-46-3
Molecular Formula:
C18H26N2OS
Molecular Weight:
318.4768
IUPAC Name:
2,6-ditert-butyl-4-(2-methylsulfanyl-1H-imidazol-5-yl)phenol
InChI:
InChI=1S/C18H26N2OS/c1-17(2,3)12-8-11(14-10-19-16(20-14)22-7)9-13(15(12)21)18(4,5)6/h8-10,21H,1-7H3,(H,19,20)
InChI Key:
PHPVPNDIKPXLHJ-UHFFFAOYSA-N
SMILES:
CSc1[nH]cc(n1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.177g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.479g/mol
Monoisotopic Mass:
318.177g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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