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89151-25-7

89151-25-7 | 2H-1,2,6-Thiadiazine, tetrahydro-2-(4-pyridinylmethyl)-, 1,1-dioxide

CAS No: 89151-25-7 Catalog No: AG003YS1 MDL No:

Product Description

Catalog Number:
AG003YS1
Chemical Name:
2H-1,2,6-Thiadiazine, tetrahydro-2-(4-pyridinylmethyl)-, 1,1-dioxide
CAS Number:
89151-25-7
Molecular Formula:
C9H13N3O2S
Molecular Weight:
227.2834
IUPAC Name:
2-(pyridin-4-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide
InChI:
InChI=1S/C9H13N3O2S/c13-15(14)11-4-1-7-12(15)8-9-2-5-10-6-3-9/h2-3,5-6,11H,1,4,7-8H2
InChI Key:
HOYFUMBYPCSWRM-UHFFFAOYSA-N
SMILES:
O=S1(=O)NCCCN1Cc1ccncc1

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:
2  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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