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113864-83-8 | Phenol, 2-(2,3-dihydro-2-benzothiazolyl)-4-(1,1,3,3-tetramethylbutyl)-
CAS No: 113864-83-8 Catalog No: AG0009Y8 MDL No:
Product Description
Catalog Number:
AG0009Y8
Chemical Name:
Phenol, 2-(2,3-dihydro-2-benzothiazolyl)-4-(1,1,3,3-tetramethylbutyl)-
CAS Number:
113864-83-8
Molecular Formula:
C21H27NOS
Molecular Weight:
341.5102
IUPAC Name:
2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
InChI:
InChI=1S/C21H27NOS/c1-20(2,3)13-21(4,5)14-10-11-17(23)15(12-14)19-22-16-8-6-7-9-18(16)24-19/h6-12,19,22-23H,13H2,1-5H3
InChI Key:
GGWUFQIIXGNRDX-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C1Nc2c(S1)cccc2)C(CC(C)(C)C)(C)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.181g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.513g/mol
Monoisotopic Mass:
341.181g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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