5-(1,3-Benzothiazol-2-YL)-2-chloroaniline
TL;DR: 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline (CAS 6268-61-7) is a chemical compound with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzothiazol-2-yl)-2-chloroaniline
Also Known As: 5-Benzothiazol-2-yl-2-chloro-phenylamine, Not Available, 5-(benzo[d]thiazol-2-yl)-2-chloroaniline, 5-(1,3-benzothiazol-2-yl)-2-chloroaniline, 1,8-Dibenzoyloctane
| Molecular Formula | C13H9ClN2S |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0175 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 6268-61-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)Cl)N |
| InChIKey | IRRAMJXBKRGJME-UHFFFAOYSA-N |
Product Overview
5-(1,3-Benzothiazol-2-YL)-2-chloroaniline (CAS 6268-61-7), with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol. IUPAC: 5-(1,3-benzothiazol-2-yl)-2-chloroaniline.
Chemical Property Profile of 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline
Property Insights of 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline
The XLogP value of 4.2 indicates that 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline. Following Lipinski's Rule of Five, 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline has 1 hydrogen bond donor(s) and 3 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 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline?
The CAS number of 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline is 6268-61-7.
What is the molecular formula of 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline?
The molecular formula of 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline is C13H9ClN2S.
What is the molecular weight of 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline?
The molecular weight of 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline is 260.02 g/mol.
Where can I buy 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline?
You can request a quote for 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzothiazol-2-YL)-2-chloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.