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174623-15-5 | Benzothiazole, 2-[5-[4-(2-benzothiazolyl)phenyl]-2-thienyl]-
CAS No: 174623-15-5 Catalog No: AG001ZTC MDL No:
Product Description
Catalog Number:
AG001ZTC
Chemical Name:
Benzothiazole, 2-[5-[4-(2-benzothiazolyl)phenyl]-2-thienyl]-
CAS Number:
174623-15-5
Molecular Formula:
C24H14N2S3
Molecular Weight:
426.5764
IUPAC Name:
2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole
InChI:
InChI=1S/C24H14N2S3/c1-3-7-20-17(5-1)25-23(28-20)16-11-9-15(10-12-16)19-13-14-22(27-19)24-26-18-6-2-4-8-21(18)29-24/h1-14H
InChI Key:
JLZONTLXEFHGCP-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc(s2)c1ccc(cc1)c1ccc(s1)c1sc2c(n1)cccc2
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.032g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.57g/mol
Monoisotopic Mass:
426.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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