2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline
TL;DR: 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline (CAS 501103-27-1) is a chemical compound with molecular formula C16H13ClN2S2 and molecular weight 332.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]aniline
Also Known As: NCIStruc1_001852, NCIStruc2_001549, NCI60_002674, Benzenamine,2-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-, 2-(((2-(4-chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline
| Molecular Formula | C16H13ClN2S2 |
|---|---|
| Molecular Weight | 332.02 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.02087 |
| Heavy Atoms | 21 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 501103-27-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SCC2=CSC(=N2)C3=CC=C(C=C3)Cl |
| InChIKey | PGYRTAKPHAXCFJ-UHFFFAOYSA-N |
Product Overview
2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline (CAS 501103-27-1), with molecular formula C16H13ClN2S2 and molecular weight 332.02 g/mol. IUPAC: 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]aniline.
Chemical Property Profile of 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline
Property Insights of 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline
The XLogP value of 4.6 indicates that 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline. Following Lipinski's Rule of Five, 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline 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 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline?
The CAS number of 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline is 501103-27-1.
What is the molecular formula of 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline?
The molecular formula of 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline is C16H13ClN2S2.
What is the molecular weight of 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline?
The molecular weight of 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline is 332.02 g/mol.
Where can I buy 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline?
You can request a quote for 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.