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147411-11-8 | 1,3,4-Oxadiazole-2(3H)-thione, 5-[4-(phenylsulfonyl)phenyl]-
CAS No: 147411-11-8 Catalog No: AG001EVK MDL No:
Product Description
Catalog Number:
AG001EVK
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-[4-(phenylsulfonyl)phenyl]-
CAS Number:
147411-11-8
Molecular Formula:
C14H10N2O3S2
Molecular Weight:
318.3708
IUPAC Name:
5-[4-(benzenesulfonyl)phenyl]-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C14H10N2O3S2/c17-21(18,11-4-2-1-3-5-11)12-8-6-10(7-9-12)13-15-16-14(20)19-13/h1-9H,(H,16,20)
InChI Key:
GVPQMCICZKKUAK-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(o1)c1ccc(cc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.013g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.365g/mol
Monoisotopic Mass:
318.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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