1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate
TL;DR: 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate (CAS 50838-36-3) is a chemical compound with molecular formula C20H21NOS and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl) N-methyl-N-(3-methylphenyl)carbamothioate
Also Known As: tolciclate, Tolmicen, Fungifos, Tolciclato, kilmicen
| Molecular Formula | C20H21NOS |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.1344 |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 50838-36-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=C(C=C2)C4CCC3C4 |
| InChIKey | CANCCLAKQQHLNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate (CAS 50838-36-3), with molecular formula C20H21NOS and molecular weight 323.13 g/mol. IUPAC: O-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl) N-methyl-N-(3-methylphenyl)carbamothioate.
Chemical Property Profile of 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate
Property Insights of 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate
The XLogP value of 5.5 indicates that 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate?
The CAS number of 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate is 50838-36-3.
What is the molecular formula of 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate?
The molecular formula of 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate is C20H21NOS.
What is the molecular weight of 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate?
The molecular weight of 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate is 323.13 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate?
You can request a quote for 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.