![4-[Bis(2-chloroethyl)amino]benzenethiol structure](/static/products/697/69721-63-7.png)
4-[Bis(2-chloroethyl)amino]benzenethiol
TL;DR: 4-[Bis(2-chloroethyl)amino]benzenethiol (CAS 69721-63-7) is a chemical compound with molecular formula C10H13Cl2NS and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]benzenethiol
Also Known As: 4-[bis(2-chloroethyl)amino]benzenethiol, NCIOpen2_002601, p-di-(2-chloroethyl)aminothiophenol, 4-[Bis(2-chloroethyl)amino]benzene-1-thiol, 4-[bis-(2-chloro-ethyl)-amino]-thiophenol
| Molecular Formula | C10H13Cl2NS |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 4.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.01457 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 69721-63-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCCl)CCCl)S |
| InChIKey | XYDTUVWHOYTQIY-UHFFFAOYSA-N |
Product Overview
4-[Bis(2-chloroethyl)amino]benzenethiol (CAS 69721-63-7), with molecular formula C10H13Cl2NS and molecular weight 249.01 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]benzenethiol.
Chemical Property Profile of 4-[Bis(2-chloroethyl)amino]benzenethiol
Property Insights of 4-[Bis(2-chloroethyl)amino]benzenethiol
The XLogP value of 3.1 indicates that 4-[Bis(2-chloroethyl)amino]benzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.2 Ų, 4-[Bis(2-chloroethyl)amino]benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[Bis(2-chloroethyl)amino]benzenethiol has 1 hydrogen bond donor(s) and 2 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 4-[Bis(2-chloroethyl)amino]benzenethiol?
The CAS number of 4-[Bis(2-chloroethyl)amino]benzenethiol is 69721-63-7.
What is the molecular formula of 4-[Bis(2-chloroethyl)amino]benzenethiol?
The molecular formula of 4-[Bis(2-chloroethyl)amino]benzenethiol is C10H13Cl2NS.
What is the molecular weight of 4-[Bis(2-chloroethyl)amino]benzenethiol?
The molecular weight of 4-[Bis(2-chloroethyl)amino]benzenethiol is 249.01 g/mol.
Where can I buy 4-[Bis(2-chloroethyl)amino]benzenethiol?
You can request a quote for 4-[Bis(2-chloroethyl)amino]benzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Bis(2-chloroethyl)amino]benzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[Bis(2-chloroethyl)amino]benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.