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5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
TL;DR: 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one (CAS 75371-25-4) is a chemical compound with molecular formula C4H6N4OS and molecular weight 158.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-sulfanylidene-1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazol-2-one
Also Known As: 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one, Imidazo[4,5-d]imidazol-2(1H)-one, hexahydro-5-thioxo-, 5-thioxo-perhydroimidazo[4,5-d]imidazole-2-one, 5-sulfanylidene-1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazol-2-one, 5-sulfanylidene-octahydro-[1,3]diazolo[4,5-d]imidazol-2-one
| Molecular Formula | C4H6N4OS |
|---|---|
| Molecular Weight | 158.03 g/mol |
| LogP | -1.5709 |
| Topological Polar Surface Area | 65.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.02623 |
| Heavy Atoms | 10 |
| Complexity | 167.43427 |
Chemical Identifiers
| CAS Number | 75371-25-4 |
|---|---|
| SMILES | C12C(NC(=O)N1)NC(=S)N2 |
Product Overview
5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one (CAS 75371-25-4), with molecular formula C4H6N4OS and molecular weight 158.03 g/mol. IUPAC: 5-sulfanylidene-1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazol-2-one.
Chemical Property Profile of 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
Property Insights of 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
The XLogP value of -1.5709 indicates that 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 65.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one. Following Lipinski's Rule of Five, 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
Frequently Asked Questions
What is the CAS number of 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
The CAS number of 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is 75371-25-4.
What is the molecular formula of 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
The molecular formula of 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is C4H6N4OS.
What is the molecular weight of 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
The molecular weight of 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one is 158.03 g/mol.
Where can I buy 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
You can request a quote for 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 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.