Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate
TL;DR: Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate (CAS 2201065-96-3) is a chemical compound with molecular formula C18H21N3S2 and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N,N-dimethyl-N'-(C-methylsulfanyl-N-phenylcarbonimidoyl)carbamimidothioate
Also Known As: NCI60_006621, Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate, benzyl N,N-dimethyl-N'-(C-methylsulfanyl-N-phenylcarbonimidoyl)carbamimidothioate, benzyl N,N-dimethyl-N'-[(Z)-(methylsulfanyl)(phenylimino)methyl]carbamimidothioate
| Molecular Formula | C18H21N3S2 |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 4.8881 |
| Topological Polar Surface Area | 27.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.11768 |
| Heavy Atoms | 23 |
| Complexity | 652.4816 |
Chemical Identifiers
| CAS Number | 2201065-96-3 |
|---|---|
| SMILES | CN(C)/C(=N/C(=NC1=CC=CC=C1)SC)/SCC2=CC=CC=C2 |
Product Overview
Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate (CAS 2201065-96-3), with molecular formula C18H21N3S2 and molecular weight 343.12 g/mol. IUPAC: benzyl N,N-dimethyl-N'-(C-methylsulfanyl-N-phenylcarbonimidoyl)carbamimidothioate.
Chemical Property Profile of Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate
Property Insights of Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate
The XLogP value of 4.8881 indicates that Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.96 Ų, Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate has 0 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 Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate?
The CAS number of Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate is 2201065-96-3.
What is the molecular formula of Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate?
The molecular formula of Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate is C18H21N3S2.
What is the molecular weight of Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate?
The molecular weight of Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate is 343.12 g/mol.
Where can I buy Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate?
You can request a quote for Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)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,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.