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88974-99-6 | Benzothiazole, 2-[2-(2-naphthalenyl)-1-phenylethenyl]-
CAS No: 88974-99-6 Catalog No: AG0045B4 MDL No:
Product Description
Catalog Number:
AG0045B4
Chemical Name:
Benzothiazole, 2-[2-(2-naphthalenyl)-1-phenylethenyl]-
CAS Number:
88974-99-6
Molecular Formula:
C25H17NS
Molecular Weight:
363.4742
IUPAC Name:
2-(2-naphthalen-2-yl-1-phenylethenyl)-1,3-benzothiazole
InChI:
InChI=1S/C25H17NS/c1-2-9-20(10-3-1)22(25-26-23-12-6-7-13-24(23)27-25)17-18-14-15-19-8-4-5-11-21(19)16-18/h1-17H
InChI Key:
XTYIROXSKNPQSG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(=Cc1ccc2c(c1)cccc2)c1nc2c(s1)cccc2
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.108g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.478g/mol
Monoisotopic Mass:
363.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.8
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