![3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide structure](/static/products/3270/327079-06-1.webp)
3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide
TL;DR: 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide (CAS 327079-06-1) is a chemical compound with molecular formula C12H13NO2S3 and molecular weight 299.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione
Also Known As: IFLab1_004758, IDI1_010513, 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide, 3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione, 3-benzyl-2-sulfanylidene-hexahydro-5lambda6-thieno[3,4-d][1,3]thiazole-5,5-dione
| Molecular Formula | C12H13NO2S3 |
|---|---|
| Molecular Weight | 299.01 g/mol |
| LogP | 1.6859 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.01083 |
| Heavy Atoms | 18 |
| Complexity | 570.2451 |
Chemical Identifiers
| CAS Number | 327079-06-1 |
|---|---|
| SMILES | C1C2C(CS1(=O)=O)SC(=S)N2CC3=CC=CC=C3 |
Product Overview
3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide (CAS 327079-06-1), with molecular formula C12H13NO2S3 and molecular weight 299.01 g/mol. IUPAC: 3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione.
Chemical Property Profile of 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide
Property Insights of 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide
The XLogP value of 1.6859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide. With a topological polar surface area (TPSA) of 37.38 Ų, 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyltetrahydrothieno[3,4-d]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-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide?
The CAS number of 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide is 327079-06-1.
What is the molecular formula of 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide?
The molecular formula of 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide is C12H13NO2S3.
What is the molecular weight of 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide?
The molecular weight of 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide is 299.01 g/mol.
Where can I buy 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide?
You can request a quote for 3-benzyltetrahydrothieno[3,4-d]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-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.