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Home > Pyridines > 1325306-72-6
1325306-72-6 | 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-thiol
CAS No: 1325306-72-6 Catalog No: AG00J0P1 MDL No:MFCD19104981
Product Description
Catalog Number:
AG00J0P1
Chemical Name:
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-thiol
CAS Number:
1325306-72-6
Molecular Formula:
C14H11N3OS
Molecular Weight:
269.3216
MDL Number:
MFCD19104981
IUPAC Name:
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridine-2-thione
InChI:
InChI=1S/C14H11N3OS/c1-9-4-6-10(7-5-9)12-16-13(18-17-12)11-3-2-8-15-14(11)19/h2-8H,1H3,(H,15,19)
InChI Key:
ZTXKLCKUQWLWBV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(n1)c1cccnc1S
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.322g/mol
Monoisotopic Mass:
269.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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