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88975-02-4 | Benzothiazole, 2-[2-(2-methylphenyl)-1-phenylethenyl]-
CAS No: 88975-02-4 Catalog No: AG008965 MDL No:
Product Description
Catalog Number:
AG008965
Chemical Name:
Benzothiazole, 2-[2-(2-methylphenyl)-1-phenylethenyl]-
CAS Number:
88975-02-4
Molecular Formula:
C22H17NS
Molecular Weight:
327.4421
IUPAC Name:
2-[2-(2-methylphenyl)-1-phenylethenyl]-1,3-benzothiazole
InChI:
InChI=1S/C22H17NS/c1-16-9-5-6-12-18(16)15-19(17-10-3-2-4-11-17)22-23-20-13-7-8-14-21(20)24-22/h2-15H,1H3
InChI Key:
JSDQNOJYJOTVPH-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C=C(c1nc2c(s1)cccc2)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.108g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.445g/mol
Monoisotopic Mass:
327.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.9
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