Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester
TL;DR: Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester (CAS 13700-07-7) is a chemical compound with molecular formula C8H10ClNO2S2 and molecular weight 250.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethylsulfanylsulfonyl)aniline
Also Known As: 4-(2-chloroethylsulfanylsulfonyl)aniline, S-(2-Chloroethyl) 4-aminobenzene-1-sulfonothioate, Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester
| Molecular Formula | C8H10ClNO2S2 |
|---|---|
| Molecular Weight | 250.98 g/mol |
| LogP | 1.9295 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.98415 |
| Heavy Atoms | 14 |
| Complexity | 388.30722 |
Chemical Identifiers
| CAS Number | 13700-07-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)SCCCl |
Product Overview
Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester (CAS 13700-07-7), with molecular formula C8H10ClNO2S2 and molecular weight 250.98 g/mol. IUPAC: 4-(2-chloroethylsulfanylsulfonyl)aniline.
Chemical Property Profile of Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester
Property Insights of Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester
The XLogP value of 1.9295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) 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-(2-chloroethyl) ester?
The CAS number of Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester is 13700-07-7.
What is the molecular formula of Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester?
The molecular formula of Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester is C8H10ClNO2S2.
What is the molecular weight of Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester?
The molecular weight of Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester is 250.98 g/mol.
Where can I buy Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester?
You can request a quote for Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) 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-(2-chloroethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.