2-(4-Aminophenyl)-6-methylbenzothiazole
TL;DR: 2-(4-Aminophenyl)-6-methylbenzothiazole (CAS 92-36-4) is a chemical compound with molecular formula C14H12N2S and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-methyl-1,3-benzothiazol-2-yl)aniline
Also Known As: 2-(4-Aminophenyl)-6-methylbenzothiazole, Dehydrothio-p-toluidine, DHPT, 4-(6-methyl-1,3-benzothiazol-2-yl)aniline, Dehydrothio-4-toluidine
| Molecular Formula | C14H12N2S |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.07211 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
| Melting Point | 376 to 196.1 °C |
| Boiling Point | 433.9 °C at 760 mmHg |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 92-36-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N |
| InChIKey | XRTJYEIMLZALBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Aminophenyl)-6-methylbenzothiazole (CAS 92-36-4), with molecular formula C14H12N2S and molecular weight 240.07 g/mol. IUPAC: 4-(6-methyl-1,3-benzothiazol-2-yl)aniline.
Chemical Property Profile of 2-(4-Aminophenyl)-6-methylbenzothiazole
Property Insights of 2-(4-Aminophenyl)-6-methylbenzothiazole
The XLogP value of 3.9 indicates that 2-(4-Aminophenyl)-6-methylbenzothiazole 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-(4-Aminophenyl)-6-methylbenzothiazole. Following Lipinski's Rule of Five, 2-(4-Aminophenyl)-6-methylbenzothiazole 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 2-(4-Aminophenyl)-6-methylbenzothiazole?
The CAS number of 2-(4-Aminophenyl)-6-methylbenzothiazole is 92-36-4.
What is the molecular formula of 2-(4-Aminophenyl)-6-methylbenzothiazole?
The molecular formula of 2-(4-Aminophenyl)-6-methylbenzothiazole is C14H12N2S.
What is the molecular weight of 2-(4-Aminophenyl)-6-methylbenzothiazole?
The molecular weight of 2-(4-Aminophenyl)-6-methylbenzothiazole is 240.07 g/mol.
Where can I buy 2-(4-Aminophenyl)-6-methylbenzothiazole?
You can request a quote for 2-(4-Aminophenyl)-6-methylbenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Aminophenyl)-6-methylbenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Aminophenyl)-6-methylbenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.