3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride
TL;DR: 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride (CAS 73713-88-9) is a chemical compound with molecular formula C14H13ClN2OS2 and molecular weight 324.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-hydroxyanilino)methyl]-3H-1,3-benzothiazol-3-ium-2-thione chloride
Also Known As: 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride, 2-BENZOTHIAZOLINETHIONE, 3-(p-HYDROXYPHENYLAMINOMETHYL)-, HYDROCHLORIDE, 2(3H)-Benzothiazolethione, 3-(((4-hydroxyphenyl)amino)methyl)-, monohydrochloride, 3-[(4-hydroxyanilino)methyl]-3H-1,3-benzothiazol-3-ium-2-thione chloride, 3-[(4-hydroxyanilino)methyl]-3H-1,3-benzothiazol-3-ium-2-thione;chloride
| Molecular Formula | C14H13ClN2OS2 |
|---|---|
| Molecular Weight | 324.02 g/mol |
| LogP | -0.63 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.01578 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 73713-88-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[NH+](C(=S)S2)CNC3=CC=C(C=C3)O.[Cl-] |
| InChIKey | GFHGXYFPFUPDMZ-UHFFFAOYSA-N |
Product Overview
3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride (CAS 73713-88-9), with molecular formula C14H13ClN2OS2 and molecular weight 324.02 g/mol. IUPAC: 3-[(4-hydroxyanilino)methyl]-3H-1,3-benzothiazol-3-ium-2-thione chloride.
Chemical Property Profile of 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride
Property Insights of 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride
The XLogP value of -0.63 indicates that 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride. Following Lipinski's Rule of Five, 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride has 3 hydrogen bond donor(s) and 5 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 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride?
The CAS number of 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride is 73713-88-9.
What is the molecular formula of 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride?
The molecular formula of 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride is C14H13ClN2OS2.
What is the molecular weight of 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride?
The molecular weight of 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride is 324.02 g/mol.
Where can I buy 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride?
You can request a quote for 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.