![1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one structure](/static/products/7154/71541-02-1.webp)
1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
TL;DR: 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one (CAS 71541-02-1) is a chemical compound with molecular formula C6H10N4OS and molecular weight 186.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-sulfanylidene-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazol-5-one
Also Known As: 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one, J3.501.851D, 4,6-dimethyl-2-sulfanylidene-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazol-5-one, 1,3-dimethyl-5-sulfanylidene-octahydro-[1,3]diazolo[4,5-d]imidazol-2-one, 1,3-Dimethyl-5-thioxooctahydroimidazo[4,5-d]imidazole-2-one
| Molecular Formula | C6H10N4OS |
|---|---|
| Molecular Weight | 186.06 g/mol |
| LogP | -0.8865 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.05753 |
| Heavy Atoms | 12 |
| Complexity | 233.93265 |
Chemical Identifiers
| CAS Number | 71541-02-1 |
|---|---|
| SMILES | CN1C2C(NC(=S)N2)N(C1=O)C |
Product Overview
1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one (CAS 71541-02-1), with molecular formula C6H10N4OS and molecular weight 186.06 g/mol. IUPAC: 4,6-dimethyl-2-sulfanylidene-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazol-5-one.
Chemical Property Profile of 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
Property Insights of 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
The XLogP value of -0.8865 indicates that 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.61 Ų, 1,3-dimethyl-5-thioxohexahydroimidazo[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-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one has 2 hydrogen bond donor(s) and 2 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-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
The CAS number of 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is 71541-02-1.
What is the molecular formula of 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
The molecular formula of 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is C6H10N4OS.
What is the molecular weight of 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
The molecular weight of 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is 186.06 g/mol.
Where can I buy 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
You can request a quote for 1,3-dimethyl-5-thioxohexahydroimidazo[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-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.