methyl N'-(3-methoxyphenyl)carbamimidothioate
TL;DR: methyl N'-(3-methoxyphenyl)carbamimidothioate (CAS 35576-47-7) is a chemical compound with molecular formula C9H12N2OS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-(3-methoxyphenyl)carbamimidothioate
Also Known As: Alfracron, methyl N'-(3-methoxyphenyl)carbamimidothioate, N'-(3-methoxyphenyl)-1-methylsulfanyl-methanimidamide, Carbamimidothioic acid, (3-methoxyphenyl)-, methyl ester
| Molecular Formula | C9H12N2OS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.0044 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.06703 |
| Heavy Atoms | 13 |
| Complexity | 312.23795 |
Chemical Identifiers
| CAS Number | 35576-47-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N=C(N)SC |
Product Overview
methyl N'-(3-methoxyphenyl)carbamimidothioate (CAS 35576-47-7), with molecular formula C9H12N2OS and molecular weight 196.07 g/mol. IUPAC: methyl N'-(3-methoxyphenyl)carbamimidothioate.
Chemical Property Profile of methyl N'-(3-methoxyphenyl)carbamimidothioate
Property Insights of methyl N'-(3-methoxyphenyl)carbamimidothioate
The XLogP value of 2.0044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N'-(3-methoxyphenyl)carbamimidothioate. With a topological polar surface area (TPSA) of 47.61 Ų, methyl N'-(3-methoxyphenyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N'-(3-methoxyphenyl)carbamimidothioate 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 methyl N'-(3-methoxyphenyl)carbamimidothioate?
The CAS number of methyl N'-(3-methoxyphenyl)carbamimidothioate is 35576-47-7.
What is the molecular formula of methyl N'-(3-methoxyphenyl)carbamimidothioate?
The molecular formula of methyl N'-(3-methoxyphenyl)carbamimidothioate is C9H12N2OS.
What is the molecular weight of methyl N'-(3-methoxyphenyl)carbamimidothioate?
The molecular weight of methyl N'-(3-methoxyphenyl)carbamimidothioate is 196.07 g/mol.
Where can I buy methyl N'-(3-methoxyphenyl)carbamimidothioate?
You can request a quote for methyl N'-(3-methoxyphenyl)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'-(3-methoxyphenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-(3-methoxyphenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.