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Home > Thiazole > 1422134-65-3
1422134-65-3 | (3aS,7R,8aS)-2-ethyloctahydro-3a,7-epoxyisothiazolo[4,5-c]azepine 1,1-dioxide
CAS No: 1422134-65-3 Catalog No: AG01DKGK MDL No:
Product Description
Catalog Number:
AG01DKGK
Chemical Name:
(3aS,7R,8aS)-2-ethyloctahydro-3a,7-epoxyisothiazolo[4,5-c]azepine 1,1-dioxide
CAS Number:
1422134-65-3
Molecular Formula:
C9H16N2O3S
Molecular Weight:
232.2999
IUPAC Name:
(1S,5S,7R)-3-ethyl-11-oxa-4λ6-thia-3,9-diazatricyclo[5.3.1.01,5]undecane 4,4-dioxide
InChI:
InChI=1S/C9H16N2O3S/c1-2-11-6-9-5-10-4-7(14-9)3-8(9)15(11,12)13/h7-8,10H,2-6H2,1H3/t7-,8+,9+/m1/s1
InChI Key:
KYRHHXKLBXXULO-VGMNWLOBSA-N
SMILES:
CCN1C[C@]23[C@@H](S1(=O)=O)C[C@@H](O3)CNC2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
232.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.298g/mol
Monoisotopic Mass:
232.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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