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Tenoxicam EP Impurity E

CAT: 1299-RM-T052404-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T052404-04Size:100 mg
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CAS Number
94040-09-2
Synonyms
2-methylthieno[2,3-d]isothiazol-3 (2H) -one 1,1-dioxide
Molecular Formula
C6H5NO3S2
Molecular Weight
203.23
Target Alternative Name
Tenoxicam
Product Name Synonym
2-methylthieno[2,3-d]isothiazol-3 (2H) -one 1,1-dioxide

Chemical Information

2-Methylthieno(2,3-d)isothiazol-3(2H)-one 1,1-dioxide
CAS Number94040-09-2
PubChem CID10058700
IUPAC Name2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one
Molecular FormulaC6H5NO3S2
Molecular Weight203.2
XLogP0.6
Topological Polar Surface Area91.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity318
SMILES
CN1C(=O)C2=C(S1(=O)=O)C=CS2
InChI
InChI=1S/C6H5NO3S2/c1-7-6(8)5-4(2-3-11-5)12(7,9)10/h2-3H,1H3
InChIKey
WUQLGNGMRNSJNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylthieno(2,3-d)isothiazol-3(2H)-one 1,1-dioxide
CAS: 94040-09-2
CID: 10058700
Formula: C6H5NO3S2
MW: 203.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight203.2
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass202.97108537
Monoisotopic Mass202.97108537
Topological Polar Surface Area91.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity318
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