![(S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione structure](/static/products/6449/64492-87-1.webp)
(S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione
TL;DR: (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione (CAS 64492-87-1) is a chemical compound with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7aS)-3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione
Also Known As: (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione, (7aS)-3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione, 1H-Pyrrolo[1,2-c]imidazole-1,5(6H)-dione, tetrahydro-3-thioxo-, (S)- (9CI), 1H-Pyrrolo[1,2-c]imidazole-1,5(6H)-dione,tetrahydro-3-thioxo-,(S)-(9CI)
| Molecular Formula | C6H6N2O2S |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.015 |
| Heavy Atoms | 11 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 64492-87-1 |
|---|---|
| SMILES | C1CC(=O)N2[C@@H]1C(=O)NC2=S |
| InChIKey | BCIFEPDUHRNYRJ-VKHMYHEASA-N |
Product Overview
(S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione (CAS 64492-87-1), with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol. IUPAC: (7aS)-3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione.
Chemical Property Profile of (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione
Property Insights of (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione
The XLogP value of -0.4 indicates that (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione. Following Lipinski's Rule of Five, (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione has 1 hydrogen bond donor(s) and 3 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 (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione?
The CAS number of (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione is 64492-87-1.
What is the molecular formula of (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione?
The molecular formula of (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione is C6H6N2O2S.
What is the molecular weight of (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione?
The molecular weight of (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione is 170.01 g/mol.
Where can I buy (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione?
You can request a quote for (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.