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89151-08-6

89151-08-6 | 2H-1,2-Thiazine, tetrahydro-2-[2-(4-pyridinyl)propyl]-, 1,1-dioxide

CAS No: 89151-08-6 Catalog No: AG003YS7 MDL No:

Product Description

Catalog Number:
AG003YS7
Chemical Name:
2H-1,2-Thiazine, tetrahydro-2-[2-(4-pyridinyl)propyl]-, 1,1-dioxide
CAS Number:
89151-08-6
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
IUPAC Name:
2-(2-pyridin-4-ylpropyl)thiazinane 1,1-dioxide
InChI:
InChI=1S/C12H18N2O2S/c1-11(12-4-6-13-7-5-12)10-14-8-2-3-9-17(14,15)16/h4-7,11H,2-3,8-10H2,1H3
InChI Key:
IJISQYMOBFFCLH-UHFFFAOYSA-N
SMILES:
CC(c1ccncc1)CN1CCCCS1(=O)=O

Properties

Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.109g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.348g/mol
Monoisotopic Mass:
254.109g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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