benzyl N'-methylcarbamimidothioate
TL;DR: benzyl N'-methylcarbamimidothioate (CAS 28736-39-2) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N'-methylcarbamimidothioate
Also Known As: benzyl N'-methylcarbamimidothioate, 2-S-Benzyl-1-methylisothiocarbamide, N-methyl(benzylsulfanyl)methanimidamide
| Molecular Formula | C9H12N2S |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 1.8643 |
| Topological Polar Surface Area | 38.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07211 |
| Heavy Atoms | 12 |
| Complexity | 256.49088 |
Chemical Identifiers
| CAS Number | 28736-39-2 |
|---|---|
| SMILES | CN=C(N)SCC1=CC=CC=C1 |
Product Overview
benzyl N'-methylcarbamimidothioate (CAS 28736-39-2), with molecular formula C9H12N2S and molecular weight 180.07 g/mol. IUPAC: benzyl N'-methylcarbamimidothioate.
Chemical Property Profile of benzyl N'-methylcarbamimidothioate
Property Insights of benzyl N'-methylcarbamimidothioate
The XLogP value of 1.8643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl N'-methylcarbamimidothioate. With a topological polar surface area (TPSA) of 38.38 Ų, benzyl N'-methylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl N'-methylcarbamimidothioate has 1 hydrogen bond donor(s) and 2 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'-methylcarbamimidothioate?
The CAS number of benzyl N'-methylcarbamimidothioate is 28736-39-2.
What is the molecular formula of benzyl N'-methylcarbamimidothioate?
The molecular formula of benzyl N'-methylcarbamimidothioate is C9H12N2S.
What is the molecular weight of benzyl N'-methylcarbamimidothioate?
The molecular weight of benzyl N'-methylcarbamimidothioate is 180.07 g/mol.
Where can I buy benzyl N'-methylcarbamimidothioate?
You can request a quote for benzyl N'-methylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N'-methylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N'-methylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.