2-(1,3-Benzothiazol-2-yl)-4-chloroaniline
TL;DR: 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline (CAS 155793-48-9) is a chemical compound with molecular formula C13H9ClN2S and molecular weight 260.0175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzothiazol-2-yl)-4-chloroaniline
Also Known As: 2-(1,3-benzothiazol-2-yl)-4-chloroaniline, 2-(Benzothiazole-2-yl)-4-chloroaniline, 2-(2'-Amino-5'-chlorophenyl)benzothiazole, J3.134.787D, 2-(1,3-benzothiazol-2-yl)-4-chloro-aniline
Technical Specifications
| Molecular Formula | C13H9ClN2S |
| Molecular Weight | 260.0175 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0175 Da |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)Cl)N |
| InChIKey | ULULTMFBERDAAS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline
Property Insights of 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline
The XLogP value of 4.2 indicates that 2-(1,3-Benzothiazol-2-yl)-4-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 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-4-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
What is the CAS number of 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline is 155793-48-9.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline is C13H9ClN2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline is 260.0175 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline?
Yes, CoreyChem provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-4-chloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.