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83142-29-4 | Phenol, 2-(2-benzothiazolyl)-4,6-bis(1,1-dimethylpropyl)-
CAS No: 83142-29-4 Catalog No: AG0059O0 MDL No:
Product Description
Catalog Number:
AG0059O0
Chemical Name:
Phenol, 2-(2-benzothiazolyl)-4,6-bis(1,1-dimethylpropyl)-
CAS Number:
83142-29-4
Molecular Formula:
C23H29NOS
Molecular Weight:
367.5475
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol
InChI:
InChI=1S/C23H29NOS/c1-7-22(3,4)15-13-16(20(25)17(14-15)23(5,6)8-2)21-24-18-11-9-10-12-19(18)26-21/h9-14,25H,7-8H2,1-6H3
InChI Key:
YSQMYKVADMPANK-UHFFFAOYSA-N
SMILES:
CCC(c1cc(c2sc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.197g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.551g/mol
Monoisotopic Mass:
367.197g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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