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142083-11-2 | Benzothiazole, 2-[5-(2,2-diphenylethenyl)-2-thienyl]-
CAS No: 142083-11-2 Catalog No: AG001HQW MDL No:
Product Description
Catalog Number:
AG001HQW
Chemical Name:
Benzothiazole, 2-[5-(2,2-diphenylethenyl)-2-thienyl]-
CAS Number:
142083-11-2
Molecular Formula:
C25H17NS2
Molecular Weight:
395.5392
IUPAC Name:
2-[5-(2,2-diphenylethenyl)thiophen-2-yl]-1,3-benzothiazole
InChI:
InChI=1S/C25H17NS2/c1-3-9-18(10-4-1)21(19-11-5-2-6-12-19)17-20-15-16-24(27-20)25-26-22-13-7-8-14-23(22)28-25/h1-17H
InChI Key:
JFOQUWWBUWIQKD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(=Cc1ccc(s1)c1nc2c(s1)cccc2)c1ccccc1
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.08g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.538g/mol
Monoisotopic Mass:
395.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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