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89151-07-5 | Pyridine, 4-[2-(1,1-dioxido-2-isothiazolidinyl)-1-methylethyl]-
CAS No: 89151-07-5 Catalog No: AG003XAJ MDL No:
Product Description
Catalog Number:
AG003XAJ
Chemical Name:
Pyridine, 4-[2-(1,1-dioxido-2-isothiazolidinyl)-1-methylethyl]-
CAS Number:
89151-07-5
Molecular Formula:
C11H16N2O2S
Molecular Weight:
240.3219
IUPAC Name:
2-(2-pyridin-4-ylpropyl)-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C11H16N2O2S/c1-10(11-3-5-12-6-4-11)9-13-7-2-8-16(13,14)15/h3-6,10H,2,7-9H2,1H3
InChI Key:
WLRODSWMWOUJGG-UHFFFAOYSA-N
SMILES:
CC(c1ccncc1)CN1CCCS1(=O)=O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.321g/mol
Monoisotopic Mass:
240.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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