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Home > Imidazoles > 203389-73-5
203389-73-5 | 1,3,4-Thiadiazole, 2-(1H-imidazol-1-yl)-5-phenyl-
CAS No: 203389-73-5 Catalog No: AG0028UE MDL No:
Product Description
Catalog Number:
AG0028UE
Chemical Name:
1,3,4-Thiadiazole, 2-(1H-imidazol-1-yl)-5-phenyl-
CAS Number:
203389-73-5
Molecular Formula:
C11H8N4S
Molecular Weight:
228.2730
IUPAC Name:
2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole
InChI:
InChI=1S/C11H8N4S/c1-2-4-9(5-3-1)10-13-14-11(16-10)15-7-6-12-8-15/h1-8H
InChI Key:
ABUNCDATOAPMHU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnc(s1)n1cncc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.273g/mol
Monoisotopic Mass:
228.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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