![2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline structure](/static/products/7273/727386-06-3.webp)
2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline
TL;DR: 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline (CAS 727386-06-3) is a chemical compound with molecular formula C14H11NO2S2 and molecular weight 289.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,1-dioxo-1-benzothiophen-3-yl)sulfanyl]aniline
Also Known As: ChemDiv3_014154, BAS 10848661, IDI1_029952, 2-[(1,1-dioxido-1-benzothien-3-yl)sulfanyl]aniline, 2-[(1,1-dioxo-1-benzothiophen-3-yl)sulfanyl]aniline
| Molecular Formula | C14H11NO2S2 |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | 3.1468 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.02313 |
| Heavy Atoms | 19 |
| Complexity | 779.5379 |
Chemical Identifiers
| CAS Number | 727386-06-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2(=O)=O)SC3=CC=CC=C3N |
Product Overview
2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline (CAS 727386-06-3), with molecular formula C14H11NO2S2 and molecular weight 289.02 g/mol. IUPAC: 2-[(1,1-dioxo-1-benzothiophen-3-yl)sulfanyl]aniline.
Chemical Property Profile of 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline
Property Insights of 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline
The XLogP value of 3.1468 indicates that 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline. Following Lipinski's Rule of Five, 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline has 1 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 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline?
The CAS number of 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline is 727386-06-3.
What is the molecular formula of 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline?
The molecular formula of 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline is C14H11NO2S2.
What is the molecular weight of 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline?
The molecular weight of 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline is 289.02 g/mol.
Where can I buy 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline?
You can request a quote for 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline 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-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.