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917750-20-0 | N-tert-Butyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-benzenesulfonamide
CAS No: 917750-20-0 Catalog No: AG01F5AV MDL No:
Product Description
Catalog Number:
AG01F5AV
Chemical Name:
N-tert-Butyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-benzenesulfonamide
CAS Number:
917750-20-0
Molecular Formula:
C12H15N3O3S2
Molecular Weight:
313.3958
IUPAC Name:
N-tert-butyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide
InChI:
InChI=1S/C12H15N3O3S2/c1-12(2,3)15-20(16,17)9-6-4-8(5-7-9)10-13-14-11(19)18-10/h4-7,15H,1-3H3,(H,14,19)
InChI Key:
ZKEBWFWIABHNGD-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)c1ccc(cc1)S(=O)(=O)NC(C)(C)C
Properties
Complexity:
509
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:
2
Isotope Atom Count:
0
Molecular Weight:
313.39g/mol
Monoisotopic Mass:
313.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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