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89151-12-2 | Pyridine, 4-[(1,1-dioxido-2-isothiazolidinyl)methyl]-
CAS No: 89151-12-2 Catalog No: AG003YS5 MDL No:
Product Description
Catalog Number:
AG003YS5
Chemical Name:
Pyridine, 4-[(1,1-dioxido-2-isothiazolidinyl)methyl]-
CAS Number:
89151-12-2
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
IUPAC Name:
2-(pyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C9H12N2O2S/c12-14(13)7-1-6-11(14)8-9-2-4-10-5-3-9/h2-5H,1,6-8H2
InChI Key:
CRGUIJBIOGXGIA-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCN1Cc1ccncc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.267g/mol
Monoisotopic Mass:
212.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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