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Tioxaprofen

CAT: 0931-T87533-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T87533-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40198-53-6
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Tioxaprofen is a novel anti-mycotic drug effective against Trichophyton mentagrophytes and T. rubrum, and it acts as a potent uncoupling agent of mitochondrial respiration [1].
Smiles
S(C(C(O)=O)C)C1=NC(=C(O1)C2=CC=C(Cl)C=C2)C3=CC=C(Cl)C=C3
Molecular Formula
C18H13Cl2NO3S
Molecular Weight
394.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tioxaprofen

RN given refers to parent cpd

CAS Number40198-53-6
PubChem CID72154
IUPAC Name2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
Molecular FormulaC18H13Cl2NO3S
Molecular Weight394.3
XLogP5.8
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity454
SMILES
CC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H13Cl2NO3S/c1-10(17(22)23)25-18-21-15(11-2-6-13(19)7-3-11)16(24-18)12-4-8-14(20)9-5-12/h2-10H,1H3,(H,22,23)
InChIKey
WGDADRBTCPGSDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tioxaprofen
CAS: 40198-53-6
CID: 72154
Formula: C18H13Cl2NO3S
MW: 394.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.3
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass392.9993198
Monoisotopic Mass392.9993198
Topological Polar Surface Area88.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity454
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
GTR19234562-01Tioxaprofen

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