![1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one structure](/static/products/107/107240-06-2.png)
1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
TL;DR: 1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one (CAS 107240-06-2) is a chemical compound with molecular formula C10H10N4OS and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-2-sulfanylidene-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-5-one
Also Known As: 1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one, 4-phenyl-2-sulfanylidene-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-5-one
| Molecular Formula | C10H10N4OS |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 0.3461 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.05753 |
| Heavy Atoms | 16 |
| Complexity | 449.39206 |
Chemical Identifiers
| CAS Number | 107240-06-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3C(NC(=S)N3)NC2=O |
Product Overview
1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one (CAS 107240-06-2), with molecular formula C10H10N4OS and molecular weight 234.06 g/mol. IUPAC: 4-phenyl-2-sulfanylidene-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-5-one.
Chemical Property Profile of 1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
Property Insights of 1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
The XLogP value of 0.3461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one. With a topological polar surface area (TPSA) of 56.4 Ų, 1-phenyl-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-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one has 3 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-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
The CAS number of 1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is 107240-06-2.
What is the molecular formula of 1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
The molecular formula of 1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is C10H10N4OS.
What is the molecular weight of 1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
The molecular weight of 1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is 234.06 g/mol.
Where can I buy 1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
You can request a quote for 1-phenyl-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-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.