![5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol structure](/static/products/7420/742094-74-2.webp)
5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol
TL;DR: 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol (CAS 742094-74-2) is a chemical compound with molecular formula C12H15N3O2S2 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3,4-dimethoxyphenyl)ethylamino]-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol, 5-[2-(3,4-dimethoxyphenyl)ethylamino]-3H-1,3,4-thiadiazole-2-thione, 5-([2-(3,4-Dimethoxyphenyl)ethyl]amino)-1,3,4-thiadiazole-2-thiol, 5-{2-(3,4-Dimethoxyphenyl)ethylamino}-1,3,4-thiadiazole-2-thiol, 5-((3,4-DIMETHOXYPHENETHYL)AMINO)-1,3,4-THIADIAZOLE-2(3H)-THIONE
| Molecular Formula | C12H15N3O2S2 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 2.87249 |
| Topological Polar Surface Area | 59.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.06058 |
| Heavy Atoms | 19 |
| Complexity | 594.6556 |
Chemical Identifiers
| CAS Number | 742094-74-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=NNC(=S)S2)OC |
Product Overview
5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol (CAS 742094-74-2), with molecular formula C12H15N3O2S2 and molecular weight 297.06 g/mol. IUPAC: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol
Property Insights of 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol
The XLogP value of 2.87249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol. With a topological polar surface area (TPSA) of 59.17 Ų, 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol has 2 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 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol is 742094-74-2.
What is the molecular formula of 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol is C12H15N3O2S2.
What is the molecular weight of 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol is 297.06 g/mol.
Where can I buy 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.