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158089-95-3 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-[(E)-(2-ethyl-1,1-dioxido-5-isothiazolidinylidene)methyl]-
CAS No: 158089-95-3 Catalog No: AG001PZB MDL No:
Product Description
Catalog Number:
AG001PZB
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-[(E)-(2-ethyl-1,1-dioxido-5-isothiazolidinylidene)methyl]-
CAS Number:
158089-95-3
Molecular Formula:
C20H31NO3S
Molecular Weight:
365.5300
IUPAC Name:
2,6-ditert-butyl-4-[(2-ethyl-1,1-dioxo-1,2-thiazolidin-5-ylidene)methyl]phenol
InChI:
InChI=1S/C20H31NO3S/c1-8-21-10-9-15(25(21,23)24)11-14-12-16(19(2,3)4)18(22)17(13-14)20(5,6)7/h11-13,22H,8-10H2,1-7H3
InChI Key:
HFWZBWTWCKQUCB-UHFFFAOYSA-N
SMILES:
CCN1CC/C(=C\c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)/S1(=O)=O
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.202g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.532g/mol
Monoisotopic Mass:
365.202g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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