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89151-09-7 | 2H-1,2-Thiazine, tetrahydro-2-[2-(4-pyridinyl)ethyl]-, 1,1-dioxide
CAS No: 89151-09-7 Catalog No: AG003YS6 MDL No:
Product Description
Catalog Number:
AG003YS6
Chemical Name:
2H-1,2-Thiazine, tetrahydro-2-[2-(4-pyridinyl)ethyl]-, 1,1-dioxide
CAS Number:
89151-09-7
Molecular Formula:
C11H16N2O2S
Molecular Weight:
240.3219
IUPAC Name:
2-(2-pyridin-4-ylethyl)thiazinane 1,1-dioxide
InChI:
InChI=1S/C11H16N2O2S/c14-16(15)10-2-1-8-13(16)9-5-11-3-6-12-7-4-11/h3-4,6-7H,1-2,5,8-10H2
InChI Key:
UHYOXBOFPNFCTO-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCCN1CCc1ccncc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.321g/mol
Monoisotopic Mass:
240.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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