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84217-42-5 | 2(3H)-Thiazolethione, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
CAS No: 84217-42-5 Catalog No: AG004Y75 MDL No:
Product Description
Catalog Number:
AG004Y75
Chemical Name:
2(3H)-Thiazolethione, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
CAS Number:
84217-42-5
Molecular Formula:
C17H23NOS2
Molecular Weight:
321.5006
IUPAC Name:
4-(3,5-ditert-butyl-4-hydroxyphenyl)-3H-1,3-thiazole-2-thione
InChI:
InChI=1S/C17H23NOS2/c1-16(2,3)11-7-10(13-9-21-15(20)18-13)8-12(14(11)19)17(4,5)6/h7-9,19H,1-6H3,(H,18,20)
InChI Key:
IBTVKIDSGXLTTE-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1O)C(C)(C)C)c1csc(=S)[nH]1)(C)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.497g/mol
Monoisotopic Mass:
321.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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