Home Amines 1177348-10-5
1177348-10-5,MFCD16631721
Catalog No.:AA01AQAA
1177348-10-5 | 5-[4-(Ethylsulfonyl)phenyl]-1,3,4-oxadiazol-2-amine
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Technical Information
Catalog Number:
AA01AQAA
Chemical Name:
5-[4-(Ethylsulfonyl)phenyl]-1,3,4-oxadiazol-2-amine
CAS Number:
1177348-10-5
Molecular Formula:
C10H11N3O3S
Molecular Weight:
253.2776
MDL Number:
MFCD16631721
IUPAC Name:
5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C10H11N3O3S/c1-2-17(14,15)8-5-3-7(4-6-8)9-12-13-10(11)16-9/h3-6H,2H2,1H3,(H2,11,13)
InChI Key:
BCMIXGGLRCZSAA-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(cc1)c1nnc(o1)N
Properties
Computed Properties
 
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.052g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.276g/mol
Monoisotopic Mass:
253.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
5-[4-(ethylsulfonyl)phenyl]-1,3,4-oxadiazol-2-amine 
1177348-10-5 
ZINC34936067 
AKOS015957801 
MCULE-4827956020 
L-3888 
5-[4-(ethanesulfonyl)phenyl]-1,3,4-oxadiazol-2-amine 
F2146-0618 
5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-amine 
Literature
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