3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione (CAS 219709-58-7) is a chemical compound with molecular formula C8H15N3S3 and molecular weight 249.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylaminomethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-thione
Also Known As: 3-(diethylaminomethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-thione, 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione, 3-[(diethylamino)methyl]-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione
| Molecular Formula | C8H15N3S3 |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 2.69529 |
| Topological Polar Surface Area | 21.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.04282 |
| Heavy Atoms | 14 |
| Complexity | 326.81766 |
Chemical Identifiers
| CAS Number | 219709-58-7 |
|---|---|
| SMILES | CCN(CC)CN1C(=S)SC(=N1)SC |
Product Overview
3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione (CAS 219709-58-7), with molecular formula C8H15N3S3 and molecular weight 249.04 g/mol. IUPAC: 3-(diethylaminomethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 2.69529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione. With a topological polar surface area (TPSA) of 21.06 Ų, 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione 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 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione is 219709-58-7.
What is the molecular formula of 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione is C8H15N3S3.
What is the molecular weight of 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione is 249.04 g/mol.
Where can I buy 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-((diethylamino)methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.