4-Chloro-2-(phenylthio)benzothiazole
TL;DR: 4-Chloro-2-(phenylthio)benzothiazole (CAS 40427-66-5) is a chemical compound with molecular formula C13H8ClNS2 and molecular weight 276.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-phenylsulfanyl-1,3-benzothiazole
Also Known As: 4-Chloro-2-(phenylthio)benzothiazole, EINECS 254-915-7, 4-chloro-2- benzothiazole, 4-chloro-2-phenylsulfanyl-1,3-benzothiazole, 4-chloro-2-(phenylthio)benzo[d]thiazole
| Molecular Formula | C13H8ClNS2 |
|---|---|
| Molecular Weight | 276.98 g/mol |
| LogP | 5.1009 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.97867 |
| Heavy Atoms | 17 |
| Complexity | 648.8332 |
Chemical Identifiers
| CAS Number | 40427-66-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=NC3=C(S2)C=CC=C3Cl |
Product Overview
4-Chloro-2-(phenylthio)benzothiazole (CAS 40427-66-5), with molecular formula C13H8ClNS2 and molecular weight 276.98 g/mol. IUPAC: 4-chloro-2-phenylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of 4-Chloro-2-(phenylthio)benzothiazole
Property Insights of 4-Chloro-2-(phenylthio)benzothiazole
The XLogP value of 5.1009 indicates that 4-Chloro-2-(phenylthio)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 4-Chloro-2-(phenylthio)benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(phenylthio)benzothiazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-2-(phenylthio)benzothiazole?
The CAS number of 4-Chloro-2-(phenylthio)benzothiazole is 40427-66-5.
What is the molecular formula of 4-Chloro-2-(phenylthio)benzothiazole?
The molecular formula of 4-Chloro-2-(phenylthio)benzothiazole is C13H8ClNS2.
What is the molecular weight of 4-Chloro-2-(phenylthio)benzothiazole?
The molecular weight of 4-Chloro-2-(phenylthio)benzothiazole is 276.98 g/mol.
Where can I buy 4-Chloro-2-(phenylthio)benzothiazole?
You can request a quote for 4-Chloro-2-(phenylthio)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(phenylthio)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(phenylthio)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.