Benzthiazuron
TL;DR: Benzthiazuron (CAS 1929-88-0) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)-3-methylurea
Also Known As: Benzthiazuron, Gatinon, Gatnon, Benthiazuron, 4-Methylstilbene
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 1929-88-0 |
|---|---|
| SMILES | CNC(=O)NC1=NC2=CC=CC=C2S1 |
| InChIKey | DTCJYIIKPVRVDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzthiazuron (CAS 1929-88-0), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-3-methylurea.
Chemical Property Profile of Benzthiazuron
Property Insights of Benzthiazuron
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzthiazuron. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzthiazuron. Following Lipinski's Rule of Five, Benzthiazuron has 2 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 Benzthiazuron?
The CAS number of Benzthiazuron is 1929-88-0.
What is the molecular formula of Benzthiazuron?
The molecular formula of Benzthiazuron is C9H9N3OS.
What is the molecular weight of Benzthiazuron?
The molecular weight of Benzthiazuron is 207.05 g/mol.
Where can I buy Benzthiazuron?
You can request a quote for Benzthiazuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzthiazuron?
Yes, KEHONG BIO provides custom synthesis services for Benzthiazuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.