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1456-67-3 | 1,3,4-Thiadiazole, 2-(4-methoxyphenyl)-5-phenyl-
CAS No: 1456-67-3 Catalog No: AG001D7Q MDL No:
Product Description
Catalog Number:
AG001D7Q
Chemical Name:
1,3,4-Thiadiazole, 2-(4-methoxyphenyl)-5-phenyl-
CAS Number:
1456-67-3
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
IUPAC Name:
2-(4-methoxyphenyl)-5-phenyl-1,3,4-thiadiazole
InChI:
InChI=1S/C15H12N2OS/c1-18-13-9-7-12(8-10-13)15-17-16-14(19-15)11-5-3-2-4-6-11/h2-10H,1H3
InChI Key:
QFLSETURCVKOGF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(s1)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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