Tolylfluanid
TL;DR: Tolylfluanid (CAS 731-27-1) is a chemical compound with molecular formula C10H13Cl2FN2O2S2 and molecular weight 345.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline
Also Known As: TOLYLFLUANID, Tolylfluanide, Tolyfluanid, Tolyfluanide, Euparen M
| Molecular Formula | C10H13Cl2FN2O2S2 |
|---|---|
| Molecular Weight | 345.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.97797 |
| Heavy Atoms | 19 |
| Complexity | 393.0 |
| Melting Point | 93 °C |
| Boiling Point | Decomposes on distillation |
| Density | 1.52 g/cu cm |
| Solubility | Solubility in toluene: 0.9 g/mL (20 °C), 1.06 g/mL (25 °C), 1.2 g/mL (30 °C); hexane: 0.03 g/mL (20 °C), 0.05 g/mL (25 °C), 0.05 g/mL (30 °C); miscible in all proportions with acetone, ethanol, ethyl acetate, methylene chloride. |
| Vapor Pressure | 0.0000015 [mmHg] |
Chemical Identifiers
| CAS Number | 731-27-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C |
| InChIKey | HYVWIQDYBVKITD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tolylfluanid (CAS 731-27-1), with molecular formula C10H13Cl2FN2O2S2 and molecular weight 345.98 g/mol. IUPAC: N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline.
Chemical Property Profile of Tolylfluanid
Property Insights of Tolylfluanid
The XLogP value of 3.9 indicates that Tolylfluanid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Tolylfluanid. Following Lipinski's Rule of Five, Tolylfluanid has 0 hydrogen bond donor(s) and 6 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 Tolylfluanid?
The CAS number of Tolylfluanid is 731-27-1.
What is the molecular formula of Tolylfluanid?
The molecular formula of Tolylfluanid is C10H13Cl2FN2O2S2.
What is the molecular weight of Tolylfluanid?
The molecular weight of Tolylfluanid is 345.98 g/mol.
Where can I buy Tolylfluanid?
You can request a quote for Tolylfluanid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tolylfluanid?
Yes, KEHONG BIO provides custom synthesis services for Tolylfluanid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.