benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate
TL;DR: benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate (CAS 67344-86-9) is a chemical compound with molecular formula C21H19N3S2 and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate
Also Known As: benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate
| Molecular Formula | C21H19N3S2 |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 5.7849 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.10205 |
| Heavy Atoms | 26 |
| Complexity | 850.19916 |
Chemical Identifiers
| CAS Number | 67344-86-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=NC(=S)NC2=CC=CC=C2)NC3=CC=CC=C3 |
Product Overview
benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate (CAS 67344-86-9), with molecular formula C21H19N3S2 and molecular weight 377.10 g/mol. IUPAC: benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate.
Chemical Property Profile of benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate
Property Insights of benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate
The XLogP value of 5.7849 indicates that benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.42 Ų, benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate has 2 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 benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate?
The CAS number of benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate is 67344-86-9.
What is the molecular formula of benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate?
The molecular formula of benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate is C21H19N3S2.
What is the molecular weight of benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate?
The molecular weight of benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate is 377.10 g/mol.
Where can I buy benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate?
You can request a quote for benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.