Home Sulfos 5-[4-(methylsulfonyl)phenyl]-1,3,4-oxadiazol-2-amine

5-[4-(methylsulfonyl)phenyl]-1,3,4-oxadiazol-2-amine

CAS No.:
1016504-27-0
Catalog Number:
AG0191N1
Molecular Formula:
C9H9N3O3S
Molecular Weight:
239.2511
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Product Description
Catalog Number:
AG0191N1
Chemical Name:
5-[4-(methylsulfonyl)phenyl]-1,3,4-oxadiazol-2-amine
CAS Number:
1016504-27-0
Molecular Formula:
C9H9N3O3S
Molecular Weight:
239.2511
MDL Number:
MFCD09815338
IUPAC Name:
5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C9H9N3O3S/c1-16(13,14)7-4-2-6(3-5-7)8-11-12-9(10)15-8/h2-5H,1H3,(H2,10,12)
InChI Key:
PDVGZROAOOHWJU-UHFFFAOYSA-N
SMILES:
Nc1nnc(o1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.036g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.249g/mol
Monoisotopic Mass:
239.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties