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(5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one structure
Fine Chemical

(5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one

TL;DR: (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one (CAS 1010869-57-4) is a chemical compound with molecular formula C26H25N3O4S3 and molecular weight 539.1007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Also Known As: (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

CAS Number
1010869-57-4
Molecular Formula
C26H25N3O4S3
Molecular Weight
539.1007 g/mol
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Technical Specifications

Molecular FormulaC26H25N3O4S3
Molecular Weight539.1007 g/mol
XLogP5.0
Topological Polar Surface Area (TPSA)147.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds7
Exact Mass539.1007 Da
Heavy Atoms36
Complexity960.0
SMILESCCCOC1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5
InChIKeyQNXITQOEXBTZIK-HAHDFKILSA-N

Chemical Property Profile of (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one

XLogP
5.0
TPSA (Topological Polar Surface Area)
147.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
7
Heavy Atoms
36
Complexity
960.0
Exact Mass
539.1007
Monoisotopic Mass
539.1007
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one

The XLogP value of 5.0 indicates that (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?

The CAS number of (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is 1010869-57-4.

What is the molecular formula of (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?

The molecular formula of (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is C26H25N3O4S3.

What is the molecular weight of (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?

The molecular weight of (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is 539.1007 g/mol.

Where can I buy (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?

You can request a quote for (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?

Yes, CoreyChem provides custom synthesis services for (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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