methyl N'-(phenylcarbamothioyl)carbamimidothioate
TL;DR: methyl N'-(phenylcarbamothioyl)carbamimidothioate (CAS 16691-28-4) is a chemical compound with molecular formula C9H11N3S2 and molecular weight 225.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-(phenylcarbamothioyl)carbamimidothioate
Also Known As: methyl N'-(phenylcarbamothioyl)carbamimidothioate
| Molecular Formula | C9H11N3S2 |
|---|---|
| Molecular Weight | 225.04 g/mol |
| LogP | 2.0611 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.03944 |
| Heavy Atoms | 14 |
| Complexity | 335.17014 |
Chemical Identifiers
| CAS Number | 16691-28-4 |
|---|---|
| SMILES | CS/C(=N\C(=S)NC1=CC=CC=C1)/N |
Product Overview
methyl N'-(phenylcarbamothioyl)carbamimidothioate (CAS 16691-28-4), with molecular formula C9H11N3S2 and molecular weight 225.04 g/mol. IUPAC: methyl N'-(phenylcarbamothioyl)carbamimidothioate.
Chemical Property Profile of methyl N'-(phenylcarbamothioyl)carbamimidothioate
Property Insights of methyl N'-(phenylcarbamothioyl)carbamimidothioate
The XLogP value of 2.0611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N'-(phenylcarbamothioyl)carbamimidothioate. With a topological polar surface area (TPSA) of 50.41 Ų, methyl N'-(phenylcarbamothioyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N'-(phenylcarbamothioyl)carbamimidothioate has 2 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 methyl N'-(phenylcarbamothioyl)carbamimidothioate?
The CAS number of methyl N'-(phenylcarbamothioyl)carbamimidothioate is 16691-28-4.
What is the molecular formula of methyl N'-(phenylcarbamothioyl)carbamimidothioate?
The molecular formula of methyl N'-(phenylcarbamothioyl)carbamimidothioate is C9H11N3S2.
What is the molecular weight of methyl N'-(phenylcarbamothioyl)carbamimidothioate?
The molecular weight of methyl N'-(phenylcarbamothioyl)carbamimidothioate is 225.04 g/mol.
Where can I buy methyl N'-(phenylcarbamothioyl)carbamimidothioate?
You can request a quote for methyl 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 methyl N'-(phenylcarbamothioyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-(phenylcarbamothioyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.