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89151-11-1 | Pyridine, 4-[1-(1,1-dioxido-2-isothiazolidinyl)ethyl]-
CAS No: 89151-11-1 Catalog No: AG003WSI MDL No:
Product Description
Catalog Number:
AG003WSI
Chemical Name:
Pyridine, 4-[1-(1,1-dioxido-2-isothiazolidinyl)ethyl]-
CAS Number:
89151-11-1
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
IUPAC Name:
2-(1-pyridin-4-ylethyl)-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C10H14N2O2S/c1-9(10-3-5-11-6-4-10)12-7-2-8-15(12,13)14/h3-6,9H,2,7-8H2,1H3
InChI Key:
UUPRJIGYOAAEER-UHFFFAOYSA-N
SMILES:
CC(N1CCCS1(=O)=O)c1ccncc1
Properties
Complexity:
304
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:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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