2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide
TL;DR: 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide (CAS 311313-89-0) is a chemical compound with molecular formula C13H10ClN3OS3 and molecular weight 354.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenyl)methylsulfanyl]-4-cyano-1,2-thiazol-3-yl]sulfanyl]acetamide
Also Known As: TimTec1_004505, A1183/0054761, 2-((5-((4-chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide, 2-({5-[(4-chlorobenzyl)sulfanyl]-4-cyanoisothiazol-3-yl}sulfanyl)acetamide, 2-({5-[(4-chlorobenzyl)sulfanyl]-4-cyano-1,2-thiazol-3-yl}sulfanyl)acetamide
| Molecular Formula | C13H10ClN3OS3 |
|---|---|
| Molecular Weight | 354.97 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.96747 |
| Heavy Atoms | 21 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 311313-89-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=C(C(=NS2)SCC(=O)N)C#N)Cl |
| InChIKey | RFDZPPVMTUCUSZ-UHFFFAOYSA-N |
Product Overview
2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide (CAS 311313-89-0), with molecular formula C13H10ClN3OS3 and molecular weight 354.97 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)methylsulfanyl]-4-cyano-1,2-thiazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide
Property Insights of 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide
The XLogP value of 3.5 indicates that 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide has 1 hydrogen bond donor(s) and 6 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-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide?
The CAS number of 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide is 311313-89-0.
What is the molecular formula of 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide?
The molecular formula of 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide is C13H10ClN3OS3.
What is the molecular weight of 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide?
The molecular weight of 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide is 354.97 g/mol.
Where can I buy 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide?
You can request a quote for 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((4-Chlorobenzyl)thio)-4-cyanoisothiazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.