![(3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one structure](/static/products/1595/1595284-05-1.webp)
(3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
TL;DR: (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one (CAS 1595284-05-1) is a chemical compound with molecular formula C4H6N4OS and molecular weight 158.02623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,6aS)-5-sulfanylidene-1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazol-2-one
Also Known As: (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one, J3.338.965E, (3aR,6aS)-5-sulfanylidene-octahydro-[1,3]diazolo[4,5-d]imidazol-2-one, (3abeta,6abeta)-5-Thioxooctahydroimidazo[4,5-d]imidazole-2-one, (3aS,6aR)-5-sulfanylidene-1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazol-2-one
Technical Specifications
| Molecular Formula | C4H6N4OS |
| Molecular Weight | 158.02623 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 97.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.02623 Da |
| Heavy Atoms | 10 |
| Complexity | 187.0 |
| SMILES | [C@@H]12[C@@H](NC(=O)N1)NC(=S)N2 |
| InChIKey | GUPCSRQTWWHGMO-XIXRPRMCSA-N |
Chemical Property Profile of (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
Property Insights of (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
The XLogP value of -1.0 indicates that (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one. Following Lipinski's Rule of Five, (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
The CAS number of (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is 1595284-05-1.
What is the molecular formula of (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
The molecular formula of (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is C4H6N4OS.
What is the molecular weight of (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
The molecular weight of (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is 158.02623 g/mol.
Where can I buy (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
You can request a quote for (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
Yes, CoreyChem provides custom synthesis services for (3aR,6aS)-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.