![(3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide structure](/static/products/111/111564-05-7.webp)
(3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide
TL;DR: (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide (CAS 111564-05-7) is a chemical compound with molecular formula C11H12N2O2S2 and molecular weight 268.03403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,6aS)-5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-2-thione
Also Known As: (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide, (3aR,6aS)-5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-2-thione
Technical Specifications
| Molecular Formula | C11H12N2O2S2 |
| Molecular Weight | 268.03403 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.03403 Da |
| Heavy Atoms | 17 |
| Complexity | 423.0 |
| SMILES | C1[C@@H]2[C@H](CS1(=O)=O)N(C(=S)N2)C3=CC=CC=C3 |
| InChIKey | CAISABGCGKHULF-ZJUUUORDSA-N |
Chemical Property Profile of (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide
Property Insights of (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide. Following Lipinski's Rule of Five, (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide 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
What is the CAS number of (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide?
The CAS number of (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide is 111564-05-7.
What is the molecular formula of (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide?
The molecular formula of (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide is C11H12N2O2S2.
What is the molecular weight of (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide?
The molecular weight of (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide is 268.03403 g/mol.
Where can I buy (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide?
You can request a quote for (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide?
Yes, CoreyChem provides custom synthesis services for (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.