![(3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide structure](/static/products/111/111564-05-7.png)
(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 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C11H12N2O2S2 |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 0.5467 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.03403 |
| Heavy Atoms | 17 |
| Complexity | 556.094 |
Chemical Identifiers
| CAS Number | 111564-05-7 |
|---|---|
| SMILES | C1[C@@H]2[C@H](CS1(=O)=O)N(C(=S)N2)C3=CC=CC=C3 |
Product Overview
(3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide (CAS 111564-05-7), with molecular formula C11H12N2O2S2 and molecular weight 268.03 g/mol. IUPAC: (3aR,6aS)-5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-2-thione.
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 0.5467 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. With a topological polar surface area (TPSA) of 49.41 Ų, (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 268.03 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,6aR)-1-phenyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide?
Yes, KEHONG BIO 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.