![1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide structure](/static/products/831/831240-76-7.png)
1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide
TL;DR: 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide (CAS 831240-76-7) is a chemical compound with molecular formula C16H20N2O2S2 and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethylphenyl)-5,5-dioxo-1-prop-2-enyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
Also Known As: 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide, F1720-0002, 3-(4-ethylphenyl)-5,5-dioxo-1-prop-2-enyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione, 1-(4-ethylphenyl)-3-(prop-2-en-1-yl)-2-sulfanylidene-hexahydro-1H-5lambda6-thieno[3,4-d]imidazole-5,5-dione, 6-(4-ethylphenyl)-4-prop-2-enyl-5-thioxo-1,3,4,6,3a,6a-hexahydro-2-thia-4,6-di azapentalene-2,2-dione
| Molecular Formula | C16H20N2O2S2 |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 2.0075 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.09662 |
| Heavy Atoms | 22 |
| Complexity | 697.3609 |
Chemical Identifiers
| CAS Number | 831240-76-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=S)CC=C |
Product Overview
1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide (CAS 831240-76-7), with molecular formula C16H20N2O2S2 and molecular weight 336.10 g/mol. IUPAC: 3-(4-ethylphenyl)-5,5-dioxo-1-prop-2-enyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione.
Chemical Property Profile of 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide
Property Insights of 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide
The XLogP value of 2.0075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide. With a topological polar surface area (TPSA) of 40.62 Ų, 1-allyl-3-(4-ethylphenyl)tetrahydro-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, 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide has 0 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 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide?
The CAS number of 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide is 831240-76-7.
What is the molecular formula of 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide?
The molecular formula of 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide is C16H20N2O2S2.
What is the molecular weight of 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide?
The molecular weight of 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide is 336.10 g/mol.
Where can I buy 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide?
You can request a quote for 1-allyl-3-(4-ethylphenyl)tetrahydro-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 1-allyl-3-(4-ethylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-3-(4-ethylphenyl)tetrahydro-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.