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Home > Pyridines > 2060050-05-5
2060050-05-5 | 1-[(pyridin-2-yl)imino]-1lambda6-thiolan-1-one
CAS No: 2060050-05-5 Catalog No: AG01BQZ2 MDL No:MFCD30502134
Product Description
Catalog Number:
AG01BQZ2
Chemical Name:
1-[(pyridin-2-yl)imino]-1lambda6-thiolan-1-one
CAS Number:
2060050-05-5
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD30502134
IUPAC Name:
1-pyridin-2-yliminothiolane 1-oxide
InChI:
InChI=1S/C9H12N2OS/c12-13(7-3-4-8-13)11-9-5-1-2-6-10-9/h1-2,5-6H,3-4,7-8H2
InChI Key:
QXSBTFULNRSKRI-UHFFFAOYSA-N
SMILES:
O=S1(=Nc2ccccn2)CCCC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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