![2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate structure](/static/products/4453/445385-60-4.webp)
2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate
TL;DR: 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate (CAS 445385-60-4) is a chemical compound with molecular formula C17H14F3N3S and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl)methyl N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
Also Known As: AM-807/14960778, 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate, (2-methylphenyl)methyl N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate, 2-methylbenzyl N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidothioate, 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]imidothiocarbamate
| Molecular Formula | C17H14F3N3S |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 5.0054 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.08606 |
| Heavy Atoms | 24 |
| Complexity | 779.1356 |
Chemical Identifiers
| CAS Number | 445385-60-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC(=NC2=CC=CC(=C2)C(F)(F)F)NC#N |
Product Overview
2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate (CAS 445385-60-4), with molecular formula C17H14F3N3S and molecular weight 349.09 g/mol. IUPAC: (2-methylphenyl)methyl N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate.
Chemical Property Profile of 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate
Property Insights of 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate
The XLogP value of 5.0054 indicates that 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.18 Ų, 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate?
The CAS number of 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate is 445385-60-4.
What is the molecular formula of 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate?
The molecular formula of 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate is C17H14F3N3S.
What is the molecular weight of 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate?
The molecular weight of 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate is 349.09 g/mol.
Where can I buy 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate?
You can request a quote for 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylbenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.