![Benzothiazole, 2-[(4-chlorophenyl)thio]- structure](/static/products/3954/39544-83-7.webp)
Benzothiazole, 2-[(4-chlorophenyl)thio]-
TL;DR: Benzothiazole, 2-[(4-chlorophenyl)thio]- (CAS 39544-83-7) 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.
2-(4-chlorophenyl)sulfanyl-1,3-benzothiazole
Also Known As: Benzothiazole, 2-[(4-chlorophenyl)thio]-, 2-(4-chlorophenyl)sulfanyl-1,3-benzothiazole, 2-(4-Chlorophenylthio)benzothiazole, 2-[(4-Chlorophenyl)thio]benzothiazole, 2-(4-chlorophenylthio)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 | 612.8332 |
Chemical Identifiers
| CAS Number | 39544-83-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=CC=C(C=C3)Cl |
Product Overview
Benzothiazole, 2-[(4-chlorophenyl)thio]- (CAS 39544-83-7), with molecular formula C13H8ClNS2 and molecular weight 276.98 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-[(4-chlorophenyl)thio]-
Property Insights of Benzothiazole, 2-[(4-chlorophenyl)thio]-
The XLogP value of 5.1009 indicates that Benzothiazole, 2-[(4-chlorophenyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, Benzothiazole, 2-[(4-chlorophenyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-[(4-chlorophenyl)thio]- 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 Benzothiazole, 2-[(4-chlorophenyl)thio]-?
The CAS number of Benzothiazole, 2-[(4-chlorophenyl)thio]- is 39544-83-7.
What is the molecular formula of Benzothiazole, 2-[(4-chlorophenyl)thio]-?
The molecular formula of Benzothiazole, 2-[(4-chlorophenyl)thio]- is C13H8ClNS2.
What is the molecular weight of Benzothiazole, 2-[(4-chlorophenyl)thio]-?
The molecular weight of Benzothiazole, 2-[(4-chlorophenyl)thio]- is 276.98 g/mol.
Where can I buy Benzothiazole, 2-[(4-chlorophenyl)thio]-?
You can request a quote for Benzothiazole, 2-[(4-chlorophenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-[(4-chlorophenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-[(4-chlorophenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.