Taumustine
TL;DR: Taumustine (CAS 5469-06-7) is a chemical compound with molecular formula C6H13Cl2NO3S and molecular weight 249.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)amino]ethanesulfonic acid
Also Known As: Taumustine, Taurine mustard, 2-[bis(2-chloroethyl)amino]ethanesulfonic acid, N,N-Bis(2-chloroethyl)taurine, Taurine, N,N-bis(2-chloroethyl)-
| Molecular Formula | C6H13Cl2NO3S |
|---|---|
| Molecular Weight | 249.00 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.99931 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 5469-06-7 |
|---|---|
| SMILES | C(CS(=O)(=O)O)N(CCCl)CCCl |
| InChIKey | HJKWURIJRYSWSR-UHFFFAOYSA-N |
Product Overview
Taumustine (CAS 5469-06-7), with molecular formula C6H13Cl2NO3S and molecular weight 249.00 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]ethanesulfonic acid.
Chemical Property Profile of Taumustine
Property Insights of Taumustine
The XLogP value of -1.9 indicates that Taumustine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Taumustine. Following Lipinski's Rule of Five, Taumustine 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 Taumustine?
The CAS number of Taumustine is 5469-06-7.
What is the molecular formula of Taumustine?
The molecular formula of Taumustine is C6H13Cl2NO3S.
What is the molecular weight of Taumustine?
The molecular weight of Taumustine is 249.00 g/mol.
Where can I buy Taumustine?
You can request a quote for Taumustine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taumustine?
Yes, KEHONG BIO provides custom synthesis services for Taumustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.