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143601-05-2 | Phenol, 2-[[[2-[(3-methylbutyl)thio]-6-benzothiazolyl]imino]methyl]-
CAS No: 143601-05-2 Catalog No: AG006UBA MDL No:
Product Description
Catalog Number:
AG006UBA
Chemical Name:
Phenol, 2-[[[2-[(3-methylbutyl)thio]-6-benzothiazolyl]imino]methyl]-
CAS Number:
143601-05-2
Molecular Formula:
C19H20N2OS2
Molecular Weight:
356.5049
IUPAC Name:
2-[[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]iminomethyl]phenol
InChI:
InChI=1S/C19H20N2OS2/c1-13(2)9-10-23-19-21-16-8-7-15(11-18(16)24-19)20-12-14-5-3-4-6-17(14)22/h3-8,11-13,22H,9-10H2,1-2H3
InChI Key:
BKAWCAIXBHZLGV-UHFFFAOYSA-N
SMILES:
CC(CCSc1nc2c(s1)cc(cc2)N=Cc1ccccc1O)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.102g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.502g/mol
Monoisotopic Mass:
356.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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