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918801-23-7 | 4-Benzothiazolecarbonitrile, 7-(4-methylphenyl)-5-(methylthio)-2-phenyl-
CAS No: 918801-23-7 Catalog No: AG006BWM MDL No:
Product Description
Catalog Number:
AG006BWM
Chemical Name:
4-Benzothiazolecarbonitrile, 7-(4-methylphenyl)-5-(methylthio)-2-phenyl-
CAS Number:
918801-23-7
Molecular Formula:
C22H16N2S2
Molecular Weight:
372.5058
IUPAC Name:
7-(4-methylphenyl)-5-methylsulfanyl-2-phenyl-1,3-benzothiazole-4-carbonitrile
InChI:
InChI=1S/C22H16N2S2/c1-14-8-10-15(11-9-14)17-12-19(25-2)18(13-23)20-21(17)26-22(24-20)16-6-4-3-5-7-16/h3-12H,1-2H3
InChI Key:
QGIJBRIXCLEYAI-UHFFFAOYSA-N
SMILES:
CSc1cc(c2ccc(cc2)C)c2c(c1C#N)nc(s2)c1ccccc1
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.075g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.504g/mol
Monoisotopic Mass:
372.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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