![[2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate structure](/static/products/4453/445385-79-5.webp)
[2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate
TL;DR: [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate (CAS 445385-79-5) is a chemical compound with molecular formula C13H14F3N3S and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate
Also Known As: [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate|2-(trifluoromethyl)benzyl N'-cyano-N-isopropylimidothiocarbamate|AM-807/14961014|(Z)-2-(trifluoromethyl)benzyl N'-cyano-N-isopropylcarbamimidothioate|2-(trifluoromethyl)benzyl N'-cyano-N-propan-2-ylcarbamimidothioate
| Molecular Formula | C13H14F3N3S |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 3.77368 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.08606 |
| Heavy Atoms | 20 |
| Complexity | 518.32806 |
Chemical Identifiers
| CAS Number | 445385-79-5 |
|---|---|
| SMILES | CC(C)N=C(NC#N)SCC1=CC=CC=C1C(F)(F)F |
Product Overview
[2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate (CAS 445385-79-5), with molecular formula C13H14F3N3S and molecular weight 301.09 g/mol. IUPAC: [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate.
Chemical Property Profile of [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate
Property Insights of [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate
The XLogP value of 3.77368 indicates that [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate 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-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate 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 [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
The CAS number of [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate is 445385-79-5.
What is the molecular formula of [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
The molecular formula of [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate is C13H14F3N3S.
What is the molecular weight of [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
The molecular weight of [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate is 301.09 g/mol.
Where can I buy [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
You can request a quote for [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.