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Bethoxazin

CAT: 1410-M12459-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M12459-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A new broad spectrum industrial microbicide with applications in material and coating preservation.
CAS Number
163269-30-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
251.3247
Molecular Formula
C11H9NO2S2
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

Bethoxazin

structure in first source

CAS Number163269-30-5
PubChem CID12040175
IUPAC Name3-(1-benzothiophen-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-oxide
Molecular FormulaC11H9NO2S2
Molecular Weight251.3
XLogP2.4
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity332
SMILES
C1CS(=O)C(=NO1)C2=CC3=CC=CC=C3S2
InChI
InChI=1S/C11H9NO2S2/c13-16-6-5-14-12-11(16)10-7-8-3-1-2-4-9(8)15-10/h1-4,7H,5-6H2
InChIKey
NRAYWXLNSHEHQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bethoxazin
CAS: 163269-30-5
CID: 12040175
Formula: C11H9NO2S2
MW: 251.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.3
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass251.00747088
Monoisotopic Mass251.00747088
Topological Polar Surface Area86.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity332
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-B328920-10MGBethoxazin
A21082-50Bethoxazin 50mg
A21082-25Bethoxazin 25mg
A21082-5Bethoxazin 5mg
A21082-100Bethoxazin 100mg
A21082-10Bethoxazin 10mg
A21082-1Bethoxazin 1mg
A21082-10mM-DBethoxazin 10mM * 1mL in DMSO

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