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89151-28-0 | Pyridine, 4-[2-(1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-1-methylethyl]-
CAS No: 89151-28-0 Catalog No: AG003XAH MDL No:
Product Description
Catalog Number:
AG003XAH
Chemical Name:
Pyridine, 4-[2-(1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-1-methylethyl]-
CAS Number:
89151-28-0
Molecular Formula:
C10H15N3O2S
Molecular Weight:
241.3100
IUPAC Name:
2-(2-pyridin-4-ylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
InChI:
InChI=1S/C10H15N3O2S/c1-9(10-2-4-11-5-3-10)8-13-7-6-12-16(13,14)15/h2-5,9,12H,6-8H2,1H3
InChI Key:
XYQGJZKMBQEVJR-UHFFFAOYSA-N
SMILES:
CC(c1ccncc1)CN1CCNS1(=O)=O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.309g/mol
Monoisotopic Mass:
241.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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