2-(Butylthio)benzothiazole
TL;DR: 2-(Butylthio)benzothiazole (CAS 2314-17-2) is a chemical compound with molecular formula C11H13NS2 and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-1,3-benzothiazole
Also Known As: Butylcaptax, 2-Butylthiobenzothiazole, 2-(Butylthio)benzothiazole, 2-butylsulfanyl-1,3-benzothiazole, 2-(butylsulfanyl)-1,3-benzothiazole
| Molecular Formula | C11H13NS2 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.04893 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 2314-17-2 |
|---|---|
| SMILES | CCCCSC1=NC2=CC=CC=C2S1 |
| InChIKey | PXSCUDKGNNWGBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Butylthio)benzothiazole (CAS 2314-17-2), with molecular formula C11H13NS2 and molecular weight 223.05 g/mol. IUPAC: 2-butylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-(Butylthio)benzothiazole
Property Insights of 2-(Butylthio)benzothiazole
The XLogP value of 3.6 indicates that 2-(Butylthio)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Butylthio)benzothiazole. Following Lipinski's Rule of Five, 2-(Butylthio)benzothiazole has 0 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-(Butylthio)benzothiazole?
The CAS number of 2-(Butylthio)benzothiazole is 2314-17-2.
What is the molecular formula of 2-(Butylthio)benzothiazole?
The molecular formula of 2-(Butylthio)benzothiazole is C11H13NS2.
What is the molecular weight of 2-(Butylthio)benzothiazole?
The molecular weight of 2-(Butylthio)benzothiazole is 223.05 g/mol.
Where can I buy 2-(Butylthio)benzothiazole?
You can request a quote for 2-(Butylthio)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butylthio)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylthio)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.