Benzenesulfonothioic acid, 4-amino-, S-ethyl ester
TL;DR: Benzenesulfonothioic acid, 4-amino-, S-ethyl ester (CAS 1130-54-7) is a chemical compound with molecular formula C8H11NO2S2 and molecular weight 217.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylsulfanylsulfonylaniline
Also Known As: Esulan, Jesulan, Ethyl thiosulfanilate, Thiosulfanilic acid S-ethyl ester, 4-ethylsulfanylsulfonylaniline
| Molecular Formula | C8H11NO2S2 |
|---|---|
| Molecular Weight | 217.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.02312 |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 1130-54-7 |
|---|---|
| SMILES | CCSS(=O)(=O)C1=CC=C(C=C1)N |
| InChIKey | JVESWDDNMQADNH-UHFFFAOYSA-N |
Product Overview
Benzenesulfonothioic acid, 4-amino-, S-ethyl ester (CAS 1130-54-7), with molecular formula C8H11NO2S2 and molecular weight 217.02 g/mol. IUPAC: 4-ethylsulfanylsulfonylaniline.
Chemical Property Profile of Benzenesulfonothioic acid, 4-amino-, S-ethyl ester
Property Insights of Benzenesulfonothioic acid, 4-amino-, S-ethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonothioic acid, 4-amino-, S-ethyl ester. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonothioic acid, 4-amino-, S-ethyl ester. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, 4-amino-, S-ethyl ester 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 Benzenesulfonothioic acid, 4-amino-, S-ethyl ester?
The CAS number of Benzenesulfonothioic acid, 4-amino-, S-ethyl ester is 1130-54-7.
What is the molecular formula of Benzenesulfonothioic acid, 4-amino-, S-ethyl ester?
The molecular formula of Benzenesulfonothioic acid, 4-amino-, S-ethyl ester is C8H11NO2S2.
What is the molecular weight of Benzenesulfonothioic acid, 4-amino-, S-ethyl ester?
The molecular weight of Benzenesulfonothioic acid, 4-amino-, S-ethyl ester is 217.02 g/mol.
Where can I buy Benzenesulfonothioic acid, 4-amino-, S-ethyl ester?
You can request a quote for Benzenesulfonothioic acid, 4-amino-, S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonothioic acid, 4-amino-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonothioic acid, 4-amino-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.