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89151-13-3 | 2H-1,2-Thiazine, tetrahydro-2-(4-pyridinylmethyl)-, 1,1-dioxide
CAS No: 89151-13-3 Catalog No: AG003WSH MDL No:
Product Description
Catalog Number:
AG003WSH
Chemical Name:
2H-1,2-Thiazine, tetrahydro-2-(4-pyridinylmethyl)-, 1,1-dioxide
CAS Number:
89151-13-3
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
IUPAC Name:
2-(pyridin-4-ylmethyl)thiazinane 1,1-dioxide
InChI:
InChI=1S/C10H14N2O2S/c13-15(14)8-2-1-7-12(15)9-10-3-5-11-6-4-10/h3-6H,1-2,7-9H2
InChI Key:
NOLAKQBXGQREOV-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCCN1Cc1ccncc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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