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113966-38-4 | 1,3,4-Oxadiazol-2-amine, N-ethyl-2,3-dihydro-2-(methylthio)-5-phenyl-
CAS No: 113966-38-4 Catalog No: AG000A6D MDL No:
Product Description
Catalog Number:
AG000A6D
Chemical Name:
1,3,4-Oxadiazol-2-amine, N-ethyl-2,3-dihydro-2-(methylthio)-5-phenyl-
CAS Number:
113966-38-4
Molecular Formula:
C11H15N3OS
Molecular Weight:
237.3213
IUPAC Name:
N-ethyl-2-methylsulfanyl-5-phenyl-3H-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C11H15N3OS/c1-3-12-11(16-2)14-13-10(15-11)9-7-5-4-6-8-9/h4-8,12,14H,3H2,1-2H3
InChI Key:
XXZTVAIMCVCAIH-UHFFFAOYSA-N
SMILES:
CCNC1(SC)NN=C(O1)c1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.321g/mol
Monoisotopic Mass:
237.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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