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5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one
TL;DR: 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one (CAS 719286-35-8) is a chemical compound with molecular formula C12H9NO3S2 and molecular weight 279.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylidene)-2-methylsulfanyl-1,3-thiazol-4-one
Also Known As: 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one, 5-(1,3-benzodioxol-5-ylmethylidene)-2-methylsulfanyl-1,3-thiazol-4-one, 5-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-(methylsulfanyl)-1,3-thiazol-4(5H)-one
| Molecular Formula | C12H9NO3S2 |
|---|---|
| Molecular Weight | 279.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.00238 |
| Heavy Atoms | 18 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 719286-35-8 |
|---|---|
| SMILES | CSC1=NC(=O)C(=CC2=CC3=C(C=C2)OCO3)S1 |
| InChIKey | XOBQIOWTTBOWOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one (CAS 719286-35-8), with molecular formula C12H9NO3S2 and molecular weight 279.00 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylidene)-2-methylsulfanyl-1,3-thiazol-4-one.
Chemical Property Profile of 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one
Property Insights of 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one
The XLogP value of 3.2 indicates that 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one. Following Lipinski's Rule of Five, 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one?
The CAS number of 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one is 719286-35-8.
What is the molecular formula of 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one?
The molecular formula of 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one is C12H9NO3S2.
What is the molecular weight of 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one?
The molecular weight of 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one is 279.00 g/mol.
Where can I buy 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one?
You can request a quote for 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzo[1,3]dioxol-5-ylmethylene-2-methylsulfanyl-thiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.