![2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate structure](/static/products/306/306746-46-3.png)
2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate
TL;DR: 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate (CAS 306746-46-3) is a chemical compound with molecular formula C16H13NO4S2 and molecular weight 347.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate
Also Known As: TimTec1_004445, 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate, 2-(1,1-dioxobenzo[d]1,2-thiazol-3-ylthio)ethyl benzoate, A0812/0038024, 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate
| Molecular Formula | C16H13NO4S2 |
|---|---|
| Molecular Weight | 347.03 g/mol |
| LogP | 2.7257 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0286 |
| Heavy Atoms | 23 |
| Complexity | 860.6588 |
Chemical Identifiers
| CAS Number | 306746-46-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCSC2=NS(=O)(=O)C3=CC=CC=C32 |
Product Overview
2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate (CAS 306746-46-3), with molecular formula C16H13NO4S2 and molecular weight 347.03 g/mol. IUPAC: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate.
Chemical Property Profile of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate
Property Insights of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate
The XLogP value of 2.7257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate. Following Lipinski's Rule of Five, 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate 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 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate?
The CAS number of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate is 306746-46-3.
What is the molecular formula of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate?
The molecular formula of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate is C16H13NO4S2.
What is the molecular weight of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate?
The molecular weight of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate is 347.03 g/mol.
Where can I buy 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate?
You can request a quote for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.