![3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide structure](/static/products/1767/176799-07-8.webp)
3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide
TL;DR: 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide (CAS 176799-07-8) is a chemical compound with molecular formula C12H11NO2S3 and molecular weight 297.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]thiazole-2-thione
Also Known As: 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide, 3-benzyl-2-thioxo-4,6-dihydrothiopheno[3,4-d]1,3-thiazoline-5,5-dione, 3-benzyl-4,6-dihydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide, 3-benzyl-5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]thiazole-2-thione
| Molecular Formula | C12H11NO2S3 |
|---|---|
| Molecular Weight | 297.00 g/mol |
| LogP | 2.75579 |
| Topological Polar Surface Area | 39.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.99518 |
| Heavy Atoms | 18 |
| Complexity | 741.3749 |
Chemical Identifiers
| CAS Number | 176799-07-8 |
|---|---|
| SMILES | C1C2=C(CS1(=O)=O)SC(=S)N2CC3=CC=CC=C3 |
Product Overview
3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide (CAS 176799-07-8), with molecular formula C12H11NO2S3 and molecular weight 297.00 g/mol. IUPAC: 3-benzyl-5,5-dioxo-4,6-dihydrothieno[3,4-d][1,3]thiazole-2-thione.
Chemical Property Profile of 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide
Property Insights of 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide
The XLogP value of 2.75579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide. With a topological polar surface area (TPSA) of 39.07 Ų, 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide has 0 hydrogen bond donor(s) and 4 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 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide?
The CAS number of 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide is 176799-07-8.
What is the molecular formula of 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide?
The molecular formula of 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide is C12H11NO2S3.
What is the molecular weight of 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide?
The molecular weight of 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide is 297.00 g/mol.
Where can I buy 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide?
You can request a quote for 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-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 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4,6-dihydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.