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568543-93-1 | N,N-diethyl-3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonamide
CAS No: 568543-93-1 Catalog No: AG019HC6 MDL No:MFCD03965236
Product Description
Catalog Number:
AG019HC6
Chemical Name:
N,N-diethyl-3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonamide
CAS Number:
568543-93-1
Molecular Formula:
C12H15N3O3S2
Molecular Weight:
313.3958
MDL Number:
MFCD03965236
IUPAC Name:
N,N-diethyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide
InChI:
InChI=1S/C12H15N3O3S2/c1-3-15(4-2)20(16,17)10-7-5-6-9(8-10)11-13-14-12(19)18-11/h5-8H,3-4H2,1-2H3,(H,14,19)
InChI Key:
YYHFWDZBNNBJLB-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cccc(c1)c1nnc(o1)S)CC
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.055g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.39g/mol
Monoisotopic Mass:
313.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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