Methabenzthiazuron
TL;DR: Methabenzthiazuron (CAS 18691-97-9) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea
Also Known As: Methabenzthiazuron, Metabenzthiazuron, TRIBUNIL, Methbenzthiazuron, Methibenzuron
| Molecular Formula | C10H11N3OS |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.06229 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 18691-97-9 |
|---|---|
| SMILES | CNC(=O)N(C)C1=NC2=CC=CC=C2S1 |
| InChIKey | RRVIAQKBTUQODI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methabenzthiazuron (CAS 18691-97-9), with molecular formula C10H11N3OS and molecular weight 221.06 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea.
Chemical Property Profile of Methabenzthiazuron
Property Insights of Methabenzthiazuron
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methabenzthiazuron. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methabenzthiazuron. Following Lipinski's Rule of Five, Methabenzthiazuron 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 Methabenzthiazuron?
The CAS number of Methabenzthiazuron is 18691-97-9.
What is the molecular formula of Methabenzthiazuron?
The molecular formula of Methabenzthiazuron is C10H11N3OS.
What is the molecular weight of Methabenzthiazuron?
The molecular weight of Methabenzthiazuron is 221.06 g/mol.
Where can I buy Methabenzthiazuron?
You can request a quote for Methabenzthiazuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methabenzthiazuron?
Yes, KEHONG BIO provides custom synthesis services for Methabenzthiazuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.