2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole
TL;DR: 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole (CAS 107974-13-0) is a chemical compound with molecular formula C11H10N2O2S2 and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole
Also Known As: VU0161174-4, 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-methyl-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole, 2-[(1,3-benzodioxol-5-ylmethyl)thio]-5-methyl-1,3,4-thiadiazole, 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-methyl-1,3,4-thiadiazole
| Molecular Formula | C11H10N2O2S2 |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 2.86752 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.01837 |
| Heavy Atoms | 17 |
| Complexity | 542.01776 |
Chemical Identifiers
| CAS Number | 107974-13-0 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=CC3=C(C=C2)OCO3 |
Product Overview
2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole (CAS 107974-13-0), with molecular formula C11H10N2O2S2 and molecular weight 266.02 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole
Property Insights of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole
The XLogP value of 2.86752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole. With a topological polar surface area (TPSA) of 44.24 Ų, 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole has 0 hydrogen bond donor(s) and 6 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-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole?
The CAS number of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole is 107974-13-0.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole?
The molecular formula of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole is C11H10N2O2S2.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole?
The molecular weight of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole is 266.02 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole?
You can request a quote for 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-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-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5-methyl-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.