3-Benzothiazol-2-ylthiothiolane-1,1-dione
TL;DR: 3-Benzothiazol-2-ylthiothiolane-1,1-dione (CAS 709616-84-2) is a chemical compound with molecular formula C11H11NO2S3 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylsulfanyl)thiolane 1,1-dioxide
Also Known As: 3-benzothiazol-2-ylthiothiolane-1,1-dione, 3-benzothiazol-2-ylsulfanylthiolane 1,1-dioxide, 3-(1,3-benzothiazol-2-ylsulfanyl)thiolane 1,1-dioxide, 2-[(1,1-dioxidotetrahydro-3-thienyl)thio]-1,3-benzothiazole
| Molecular Formula | C11H11NO2S3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 2.5755 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.99518 |
| Heavy Atoms | 17 |
| Complexity | 614.5352 |
Chemical Identifiers
| CAS Number | 709616-84-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1SC2=NC3=CC=CC=C3S2 |
Product Overview
3-Benzothiazol-2-ylthiothiolane-1,1-dione (CAS 709616-84-2), with molecular formula C11H11NO2S3 and molecular weight 285.00 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylsulfanyl)thiolane 1,1-dioxide.
Chemical Property Profile of 3-Benzothiazol-2-ylthiothiolane-1,1-dione
Property Insights of 3-Benzothiazol-2-ylthiothiolane-1,1-dione
The XLogP value of 2.5755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzothiazol-2-ylthiothiolane-1,1-dione. With a topological polar surface area (TPSA) of 47.03 Ų, 3-Benzothiazol-2-ylthiothiolane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzothiazol-2-ylthiothiolane-1,1-dione has 0 hydrogen bond donor(s) and 5 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-Benzothiazol-2-ylthiothiolane-1,1-dione?
The CAS number of 3-Benzothiazol-2-ylthiothiolane-1,1-dione is 709616-84-2.
What is the molecular formula of 3-Benzothiazol-2-ylthiothiolane-1,1-dione?
The molecular formula of 3-Benzothiazol-2-ylthiothiolane-1,1-dione is C11H11NO2S3.
What is the molecular weight of 3-Benzothiazol-2-ylthiothiolane-1,1-dione?
The molecular weight of 3-Benzothiazol-2-ylthiothiolane-1,1-dione is 285.00 g/mol.
Where can I buy 3-Benzothiazol-2-ylthiothiolane-1,1-dione?
You can request a quote for 3-Benzothiazol-2-ylthiothiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzothiazol-2-ylthiothiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzothiazol-2-ylthiothiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.