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84217-43-6 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(methylthio)-4-thiazolyl]-
CAS No: 84217-43-6 Catalog No: AG004Y74 MDL No:
Product Description
Catalog Number:
AG004Y74
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(methylthio)-4-thiazolyl]-
CAS Number:
84217-43-6
Molecular Formula:
C18H25NOS2
Molecular Weight:
335.5272
IUPAC Name:
2,6-ditert-butyl-4-(2-methylsulfanyl-1,3-thiazol-4-yl)phenol
InChI:
InChI=1S/C18H25NOS2/c1-17(2,3)12-8-11(14-10-22-16(19-14)21-7)9-13(15(12)20)18(4,5)6/h8-10,20H,1-7H3
InChI Key:
OOSNEIYSUPASLV-UHFFFAOYSA-N
SMILES:
CSc1scc(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:
335.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.524g/mol
Monoisotopic Mass:
335.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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