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4-Benzylthiomorpholine 1,1-dioxide

CAT: 0013-GTR19251874-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251874-01Size:200 mg
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Description
4-Benzylthiomorpholine 1,1-dioxide
CAS Number
26475-66-1
Smiles
O=S1 (=O) CCN (CC2=CC=CC=C2) CC1
Molecular Formula
C11H15NO2S
Molecular Weight
225.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Benzylthiomorpholine 1,1-Dioxide
CAS Number26475-66-1
PubChem CID318454
IUPAC Name4-benzyl-1,4-thiazinane 1,1-dioxide
Molecular FormulaC11H15NO2S
Molecular Weight225.31
XLogP1.1
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity274
SMILES
C1CS(=O)(=O)CCN1CC2=CC=CC=C2
InChI
InChI=1S/C11H15NO2S/c13-15(14)8-6-12(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
KFAMTQFKYUXQKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Benzylthiomorpholine 1,1-Dioxide
CAS: 26475-66-1
CID: 318454
Formula: C11H15NO2S
MW: 225.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.31
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass225.08234989
Monoisotopic Mass225.08234989
Topological Polar Surface Area45.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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