3(2H)-Isothiazolethione, 5-(4-chlorophenyl)-
TL;DR: 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)- (CAS 143773-31-3) 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.
5-(4-chlorophenyl)-1,2-thiazole-3-thione
Also Known As: 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)-, 5-(4-chlorophenyl)-1,2-thiazole-3-thione, 5-(4-Chlorophenyl)isothiazole-3-thiol, 5-(4-chlorophenyl)-3-mercapto-isothiazole, 5-(4-Chlorophenyl)-1,2-thiazole-3(2H)-thione
| 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 | 143773-31-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=S)NS2)Cl |
Product Overview
3(2H)-Isothiazolethione, 5-(4-chlorophenyl)- (CAS 143773-31-3), with molecular formula C9H6ClNS2 and molecular weight 226.96 g/mol. IUPAC: 5-(4-chlorophenyl)-1,2-thiazole-3-thione.
Chemical Property Profile of 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)-
Property Insights of 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)-
The XLogP value of 4.12609 indicates that 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)- 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 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)-?
The CAS number of 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)- is 143773-31-3.
What is the molecular formula of 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)-?
The molecular formula of 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)- is C9H6ClNS2.
What is the molecular weight of 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)-?
The molecular weight of 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)- is 226.96 g/mol.
Where can I buy 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)-?
You can request a quote for 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isothiazolethione, 5-(4-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.