![1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one structure](/static/products/715/71540-94-8.png)
1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one
TL;DR: 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one (CAS 71540-94-8) is a chemical compound with molecular formula C8H14N4OS and molecular weight 214.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6-trimethyl-2-methylsulfanyl-3a,6a-dihydroimidazo[4,5-d]imidazol-5-one
Also Known As: 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one, 3,4,6-trimethyl-2-methylsulfanyl-3a,6a-dihydroimidazo[4,5-d]imidazol-5-one
| Molecular Formula | C8H14N4OS |
|---|---|
| Molecular Weight | 214.09 g/mol |
| LogP | 0.3002 |
| Topological Polar Surface Area | 39.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.08884 |
| Heavy Atoms | 14 |
| Complexity | 305.7164 |
Chemical Identifiers
| CAS Number | 71540-94-8 |
|---|---|
| SMILES | CN1C2C(N(C(=N2)SC)C)N(C1=O)C |
Product Overview
1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one (CAS 71540-94-8), with molecular formula C8H14N4OS and molecular weight 214.09 g/mol. IUPAC: 3,4,6-trimethyl-2-methylsulfanyl-3a,6a-dihydroimidazo[4,5-d]imidazol-5-one.
Chemical Property Profile of 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one
Property Insights of 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one
The XLogP value of 0.3002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one. With a topological polar surface area (TPSA) of 39.15 Ų, 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one has 0 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 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one?
The CAS number of 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one is 71540-94-8.
What is the molecular formula of 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one?
The molecular formula of 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one is C8H14N4OS.
What is the molecular weight of 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one?
The molecular weight of 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one is 214.09 g/mol.
Where can I buy 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one?
You can request a quote for 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3,6-trimethyl-5-(methylthio)-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.