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84217-44-7 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(methylsulfonyl)-4-thiazolyl]-
CAS No: 84217-44-7 Catalog No: AG004OPE MDL No:
Product Description
Catalog Number:
AG004OPE
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(methylsulfonyl)-4-thiazolyl]-
CAS Number:
84217-44-7
Molecular Formula:
C18H25NO3S2
Molecular Weight:
367.5260
IUPAC Name:
2,6-ditert-butyl-4-(2-methylsulfonyl-1,3-thiazol-4-yl)phenol
InChI:
InChI=1S/C18H25NO3S2/c1-17(2,3)12-8-11(9-13(15(12)20)18(4,5)6)14-10-23-16(19-14)24(7,21)22/h8-10,20H,1-7H3
InChI Key:
JSAGIMMDEBUERB-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(C)(C)C)c1csc(n1)S(=O)(=O)C)C(C)(C)C
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.522g/mol
Monoisotopic Mass:
367.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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