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832077-50-6 | 2(3H)-Oxazolethione, 5-(2-pyridinyl)-
CAS No: 832077-50-6 Catalog No: AG004VFF MDL No:
Product Description
Catalog Number:
AG004VFF
Chemical Name:
2(3H)-Oxazolethione, 5-(2-pyridinyl)-
CAS Number:
832077-50-6
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
IUPAC Name:
5-pyridin-2-yl-3H-1,3-oxazole-2-thione
InChI:
InChI=1S/C8H6N2OS/c12-8-10-5-7(11-8)6-3-1-2-4-9-6/h1-5H,(H,10,12)
InChI Key:
PMFAPKLIDJPPES-UHFFFAOYSA-N
SMILES:
S=c1[nH]cc(o1)c1ccccn1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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