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338760-49-9 | 5-(2-phenyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole-2-thiol
CAS No: 338760-49-9 Catalog No: AG00IPLG MDL No:MFCD00171884
Product Description
Catalog Number:
AG00IPLG
Chemical Name:
5-(2-phenyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole-2-thiol
CAS Number:
338760-49-9
Molecular Formula:
C11H7N3OS2
Molecular Weight:
261.3228
MDL Number:
MFCD00171884
IUPAC Name:
5-(2-phenyl-1,3-thiazol-4-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C11H7N3OS2/c16-11-14-13-9(15-11)8-6-17-10(12-8)7-4-2-1-3-5-7/h1-6H,(H,14,16)
InChI Key:
ZBDHKQLMPKJZQB-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)c1csc(n1)c1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.003g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.317g/mol
Monoisotopic Mass:
261.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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