4-(4-Chlorophenyl)-1,3-thiazole-2-thiol
TL;DR: 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol (CAS 2104-00-9) is a chemical compound with molecular formula C9H6ClNS2 and molecular weight 226.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-3H-1,3-thiazole-2-thione
Also Known As: 4-(4-chlorophenyl)-1,3-thiazole-2-thiol, 4-(4-chlorophenyl)thiazole-2-thiol, 4-(4-chlorophenyl)-3H-1,3-thiazole-2-thione, 2(3H)-Thiazolethione, 4-(4-chlorophenyl)-, 2-thiazolethiol, 4-(4-chlorophenyl)-
| Molecular Formula | C9H6ClNS2 |
|---|---|
| Molecular Weight | 226.96 g/mol |
| LogP | 4.12609 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.96301 |
| Heavy Atoms | 13 |
| Complexity | 454.96698 |
Chemical Identifiers
| CAS Number | 2104-00-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC(=S)N2)Cl |
Product Overview
4-(4-Chlorophenyl)-1,3-thiazole-2-thiol (CAS 2104-00-9), with molecular formula C9H6ClNS2 and molecular weight 226.96 g/mol. IUPAC: 4-(4-chlorophenyl)-3H-1,3-thiazole-2-thione.
Chemical Property Profile of 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol
Property Insights of 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol
The XLogP value of 4.12609 indicates that 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol 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-(4-Chlorophenyl)-1,3-thiazole-2-thiol?
The CAS number of 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol is 2104-00-9.
What is the molecular formula of 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol?
The molecular formula of 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol is C9H6ClNS2.
What is the molecular weight of 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol?
The molecular weight of 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol is 226.96 g/mol.
Where can I buy 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol?
You can request a quote for 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-1,3-thiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.