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89151-30-4 | Pyridine, 4-[2-(1,1-dioxido-1,2,5-thiadiazolidin-2-yl)ethyl]-
CAS No: 89151-30-4 Catalog No: AG003WSA MDL No:
Product Description
Catalog Number:
AG003WSA
Chemical Name:
Pyridine, 4-[2-(1,1-dioxido-1,2,5-thiadiazolidin-2-yl)ethyl]-
CAS Number:
89151-30-4
Molecular Formula:
C9H13N3O2S
Molecular Weight:
227.2834
IUPAC Name:
2-(2-pyridin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide
InChI:
InChI=1S/C9H13N3O2S/c13-15(14)11-6-8-12(15)7-3-9-1-4-10-5-2-9/h1-2,4-5,11H,3,6-8H2
InChI Key:
FQFBESHSPDTHNF-UHFFFAOYSA-N
SMILES:
O=S1(=O)NCCN1CCc1ccncc1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.282g/mol
Monoisotopic Mass:
227.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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