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105247-17-4 | 3-(4-Hydroxy-3,5-di-tert-butylbenzyl)benzothiazole-2(3H)-thione
CAS No: 105247-17-4 Catalog No: AG009QBU MDL No:
Product Description
Catalog Number:
AG009QBU
Chemical Name:
3-(4-Hydroxy-3,5-di-tert-butylbenzyl)benzothiazole-2(3H)-thione
CAS Number:
105247-17-4
IUPAC Name:
3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C22H27NOS2/c1-21(2,3)15-11-14(12-16(19(15)24)22(4,5)6)13-23-17-9-7-8-10-18(17)26-20(23)25/h7-12,24H,13H2,1-6H3
InChI Key:
FQQRWOWMCBISBN-UHFFFAOYSA-N
EC Number:
404-890-5
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.584g/mol
Monoisotopic Mass:
385.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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