![Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate structure](/static/products/855/85524-16-9.png)
Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate
TL;DR: Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate (CAS 85524-16-9) is a chemical compound with molecular formula C10H9NO4S2 and molecular weight 271.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]acetate
Also Known As: BAS 00790391, methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate, methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]acetate, A0837/0039238, methyl 2-(1,1-dioxobenzo[d]1,2-thiazol-3-ylthio)acetate
| Molecular Formula | C10H9NO4S2 |
|---|---|
| Molecular Weight | 271.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.9973 |
| Heavy Atoms | 17 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 85524-16-9 |
|---|---|
| SMILES | COC(=O)CSC1=NS(=O)(=O)C2=CC=CC=C21 |
| InChIKey | AJCJFCAMKAYRGQ-UHFFFAOYSA-N |
Product Overview
Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate (CAS 85524-16-9), with molecular formula C10H9NO4S2 and molecular weight 271.00 g/mol. IUPAC: methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate
Property Insights of Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 6 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 Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate?
The CAS number of Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate is 85524-16-9.
What is the molecular formula of Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate?
The molecular formula of Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate is C10H9NO4S2.
What is the molecular weight of Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate?
The molecular weight of Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate is 271.00 g/mol.
Where can I buy Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate?
You can request a quote for Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.