2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide
TL;DR: 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide (CAS 51412-92-1) is a chemical compound with molecular formula C4H8IN3S2 and molecular weight 288.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-imine;hydroiodide
Also Known As: 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide, 2-Amino-3-methyl-5-methylmercapto-1,3,4-thiadiazolium iodide, 1,3,4-Thiadiazolium, 2-amino-3-methyl-5-(methylthio)-, iodide, 3-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-imine hydroiodide, 3-Methyl-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-imine--hydrogen iodide (1/1)
| Molecular Formula | C4H8IN3S2 |
|---|---|
| Molecular Weight | 288.92 g/mol |
| LogP | 1.30097 |
| Topological Polar Surface Area | 41.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.92044 |
| Heavy Atoms | 10 |
| Complexity | 253.25053 |
Chemical Identifiers
| CAS Number | 51412-92-1 |
|---|---|
| SMILES | CN1C(=N)SC(=N1)SC.I |
Product Overview
2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide (CAS 51412-92-1), with molecular formula C4H8IN3S2 and molecular weight 288.92 g/mol. IUPAC: 3-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-imine;hydroiodide.
Chemical Property Profile of 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide
Property Insights of 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide
The XLogP value of 1.30097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide. With a topological polar surface area (TPSA) of 41.67 Ų, 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide has 1 hydrogen bond donor(s) and 4 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-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide?
The CAS number of 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide is 51412-92-1.
What is the molecular formula of 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide?
The molecular formula of 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide is C4H8IN3S2.
What is the molecular weight of 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide?
The molecular weight of 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide is 288.92 g/mol.
Where can I buy 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide?
You can request a quote for 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-methyl-5-(methylthio)-1,3,4-thiadiazolium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.