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Home > Pyridines > 128734-29-2
128734-29-2 | 4,7-Epoxyisothiazolo[5,4-c]pyridine (9CI)
CAS No: 128734-29-2 Catalog No: AG000YCG MDL No:
Product Description
Catalog Number:
AG000YCG
Chemical Name:
4,7-Epoxyisothiazolo[5,4-c]pyridine (9CI)
CAS Number:
128734-29-2
Molecular Formula:
C6H2N2OS
Molecular Weight:
150.1579
IUPAC Name:
10-oxa-3-thia-4,9-diazatricyclo[5.2.1.02,6]deca-1(9),2(6),4,7-tetraene
InChI:
InChI=1S/C6H2N2OS/c1-3-4-2-7-6(9-4)5(3)10-8-1/h1-2H
InChI Key:
CLKKBQGCAOYPEP-UHFFFAOYSA-N
SMILES:
n1sc2c(c1)c1oc2nc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.989g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.155g/mol
Monoisotopic Mass:
149.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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