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119221-62-4 | 1,3,4-Oxadiazole-2(3H)-thione, 5-(2,6-dichloro-4-pyridinyl)-
CAS No: 119221-62-4 Catalog No: AG000IEX MDL No:MFCD00833074
Product Description
Catalog Number:
AG000IEX
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(2,6-dichloro-4-pyridinyl)-
CAS Number:
119221-62-4
Molecular Formula:
C7H3Cl2N3OS
Molecular Weight:
248.0892
MDL Number:
MFCD00833074
IUPAC Name:
5-(2,6-dichloropyridin-4-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C7H3Cl2N3OS/c8-4-1-3(2-5(9)10-4)6-11-12-7(14)13-6/h1-2H,(H,12,14)
InChI Key:
DGCWSYQIRJNUBJ-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)cc(c1)c1n[nH]c(=S)o1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.937g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.081g/mol
Monoisotopic Mass:
246.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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