Benzothiazoline
TL;DR: Benzothiazoline (CAS 4433-52-7) is a chemical compound with molecular formula C7H7NS and molecular weight 137.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1,3-benzothiazole
Also Known As: Benzothiazoline, 2,3-Dihydrobenzothiazole, 2,3-dihydro-1,3-benzothiazole, benzo[d]thiazoline, dihydrobenzothiazole
| Molecular Formula | C7H7NS |
|---|---|
| Molecular Weight | 137.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.02992 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 4433-52-7 |
|---|---|
| SMILES | C1NC2=CC=CC=C2S1 |
| InChIKey | WOHLSTOWRAOMSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazoline (CAS 4433-52-7), with molecular formula C7H7NS and molecular weight 137.03 g/mol. IUPAC: 2,3-dihydro-1,3-benzothiazole.
Chemical Property Profile of Benzothiazoline
Property Insights of Benzothiazoline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazoline. With a topological polar surface area (TPSA) of 37.3 Ų, Benzothiazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazoline has 1 hydrogen bond donor(s) and 2 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 Benzothiazoline?
The CAS number of Benzothiazoline is 4433-52-7.
What is the molecular formula of Benzothiazoline?
The molecular formula of Benzothiazoline is C7H7NS.
What is the molecular weight of Benzothiazoline?
The molecular weight of Benzothiazoline is 137.03 g/mol.
Where can I buy Benzothiazoline?
You can request a quote for Benzothiazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazoline?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.