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89151-27-9 | Pyridine, 4-[(1,1-dioxido-1,2,5-thiadiazolidin-2-yl)methyl]-
CAS No: 89151-27-9 Catalog No: AG003YS0 MDL No:
Product Description
Catalog Number:
AG003YS0
Chemical Name:
Pyridine, 4-[(1,1-dioxido-1,2,5-thiadiazolidin-2-yl)methyl]-
CAS Number:
89151-27-9
Molecular Formula:
C8H11N3O2S
Molecular Weight:
213.2568
IUPAC Name:
2-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide
InChI:
InChI=1S/C8H11N3O2S/c12-14(13)10-5-6-11(14)7-8-1-3-9-4-2-8/h1-4,10H,5-7H2
InChI Key:
MVGUVRUWNVRRBC-UHFFFAOYSA-N
SMILES:
O=S1(=O)NCCN1Cc1ccncc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.255g/mol
Monoisotopic Mass:
213.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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