![5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one structure](/static/products/567/5677-12-3.png)
5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one
TL;DR: 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one (CAS 5677-12-3) is a chemical compound with molecular formula C14H14Cl2N2OS2 and molecular weight 359.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-[4-[bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one, 5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-4-thiazolidinone, (5Z)-5-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C14H14Cl2N2OS2 |
|---|---|
| Molecular Weight | 359.99 g/mol |
| LogP | 3.4594 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.99246 |
| Heavy Atoms | 21 |
| Complexity | 554.59735 |
Chemical Identifiers
| CAS Number | 5677-12-3 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)NC(=S)S2)N(CCCl)CCCl |
Product Overview
5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one (CAS 5677-12-3), with molecular formula C14H14Cl2N2OS2 and molecular weight 359.99 g/mol. IUPAC: (5Z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one
Property Insights of 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one
The XLogP value of 3.4594 indicates that 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one 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 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one?
The CAS number of 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one is 5677-12-3.
What is the molecular formula of 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one?
The molecular formula of 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one is C14H14Cl2N2OS2.
What is the molecular weight of 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one?
The molecular weight of 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one is 359.99 g/mol.
Where can I buy 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one?
You can request a quote for 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.