![2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole structure](/static/products/620/62049-84-7.png)
2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole
TL;DR: 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole (CAS 62049-84-7) is a chemical compound with molecular formula C13H7ClN2O2S2 and molecular weight 321.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-2-nitrophenyl)sulfanyl-1,3-benzothiazole
Also Known As: BAS 00805361, 2-(5-chloro-2-nitrophenyl)sulfanyl-1,3-benzothiazole, 2-benzothiazol-2-ylthio-4-chloro-1-nitrobenzene, 2-((5-chloro-2-nitrophenyl)thio)benzo[d]thiazole, 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzothiazole
| Molecular Formula | C13H7ClN2O2S2 |
|---|---|
| Molecular Weight | 321.96 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.96375 |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 62049-84-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
| InChIKey | FKAWEPWMMORCEJ-UHFFFAOYSA-N |
Product Overview
2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole (CAS 62049-84-7), with molecular formula C13H7ClN2O2S2 and molecular weight 321.96 g/mol. IUPAC: 2-(5-chloro-2-nitrophenyl)sulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole
Property Insights of 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole
The XLogP value of 5.2 indicates that 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole?
The CAS number of 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole is 62049-84-7.
What is the molecular formula of 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole?
The molecular formula of 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole is C13H7ClN2O2S2.
What is the molecular weight of 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole?
The molecular weight of 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole is 321.96 g/mol.
Where can I buy 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole?
You can request a quote for 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Chloro-2-nitrophenyl)sulfanyl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.