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Home > Pyridines > 856570-68-8
856570-68-8 | Methanethiol, [[3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]oxy]-
CAS No: 856570-68-8 Catalog No: AG004TH3 MDL No:
Product Description
Catalog Number:
AG004TH3
Chemical Name:
Methanethiol, [[3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]oxy]-
CAS Number:
856570-68-8
Molecular Formula:
C13H10N4O2S
Molecular Weight:
286.3091
IUPAC Name:
[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]oxymethanethiol
InChI:
InChI=1S/C13H10N4O2S/c20-8-18-12-9(4-3-7-15-12)13-16-11(17-19-13)10-5-1-2-6-14-10/h1-7,20H,8H2
InChI Key:
QSZBBJUESFRQGB-UHFFFAOYSA-N
SMILES:
SCOc1ncccc1c1onc(n1)c1ccccn1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.309g/mol
Monoisotopic Mass:
286.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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