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Home > Pyridines > 2060005-83-4
2060005-83-4 | 1-[(5-methoxypyridin-2-yl)imino]-1lambda6-thiolan-1-one
CAS No: 2060005-83-4 Catalog No: AG01BQYZ MDL No:MFCD30502131
Product Description
Catalog Number:
AG01BQYZ
Chemical Name:
1-[(5-methoxypyridin-2-yl)imino]-1lambda6-thiolan-1-one
CAS Number:
2060005-83-4
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
MDL Number:
MFCD30502131
IUPAC Name:
1-(5-methoxypyridin-2-yl)iminothiolane 1-oxide
InChI:
InChI=1S/C10H14N2O2S/c1-14-9-4-5-10(11-8-9)12-15(13)6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
KNSGVGNPBKGVRT-UHFFFAOYSA-N
SMILES:
COc1ccc(nc1)N=S1(=O)CCCC1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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