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Home > Pyridines > 2059988-35-9
2059988-35-9 | 1-[(pyridin-3-yl)imino]-1lambda6-thiolan-1-one
CAS No: 2059988-35-9 Catalog No: AG01BQYN MDL No:MFCD30502119
Product Description
Catalog Number:
AG01BQYN
Chemical Name:
1-[(pyridin-3-yl)imino]-1lambda6-thiolan-1-one
CAS Number:
2059988-35-9
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD30502119
IUPAC Name:
1-pyridin-3-yliminothiolane 1-oxide
InChI:
InChI=1S/C9H12N2OS/c12-13(6-1-2-7-13)11-9-4-3-5-10-8-9/h3-5,8H,1-2,6-7H2
InChI Key:
QZNKRYZBBQSNLR-UHFFFAOYSA-N
SMILES:
O=S1(=Nc2cccnc2)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:
1.4
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