![2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole structure](/static/products/888/888629-68-3.png)
2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole
TL;DR: 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole (CAS 888629-68-3) is a chemical compound with molecular formula C14H11N3O2S3 and molecular weight 349.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole
Also Known As: 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole, [2-(1,3-BENZODIOXOL-5-YL)-1,3-THIAZOL-4-YL]METHYL (5-METHYL-1,3,4-THIADIAZOL-2-YL) SULFIDE, 2-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-methyl-1,3,4-thiadiazole, 5-[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)(1,3-thiazol-4-yl))methylthio]-2-methy l-1,3,4-thiadiazole
| Molecular Formula | C14H11N3O2S3 |
|---|---|
| Molecular Weight | 349.00 g/mol |
| LogP | 3.99102 |
| Topological Polar Surface Area | 57.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.00134 |
| Heavy Atoms | 22 |
| Complexity | 815.2784 |
Chemical Identifiers
| CAS Number | 888629-68-3 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4 |
Product Overview
2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole (CAS 888629-68-3), with molecular formula C14H11N3O2S3 and molecular weight 349.00 g/mol. IUPAC: 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole.
Chemical Property Profile of 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole
Property Insights of 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole
The XLogP value of 3.99102 indicates that 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.13 Ų, 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole has 0 hydrogen bond donor(s) and 8 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 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The CAS number of 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole is 888629-68-3.
What is the molecular formula of 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The molecular formula of 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole is C14H11N3O2S3.
What is the molecular weight of 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The molecular weight of 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole is 349.00 g/mol.
Where can I buy 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
You can request a quote for 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.