Methyl phenylcarbamimidothioate
TL;DR: Methyl phenylcarbamimidothioate (CAS 27806-84-4) is a chemical compound with molecular formula C8H10N2S and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-phenylcarbamimidothioate
Also Known As: Maybridge1_005648, methyl phenylcarbamimidothioate, N-phenyl-S-methylisothiourea, DivK1c_001936, methyl N'-phenylcarbamimidothioate
| Molecular Formula | C8H10N2S |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.05647 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 27806-84-4 |
|---|---|
| SMILES | CSC(=NC1=CC=CC=C1)N |
| InChIKey | NROPRCUPBJFONT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl phenylcarbamimidothioate (CAS 27806-84-4), with molecular formula C8H10N2S and molecular weight 166.06 g/mol. IUPAC: methyl N'-phenylcarbamimidothioate.
Chemical Property Profile of Methyl phenylcarbamimidothioate
Property Insights of Methyl phenylcarbamimidothioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl phenylcarbamimidothioate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl phenylcarbamimidothioate. Following Lipinski's Rule of Five, Methyl phenylcarbamimidothioate 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 Methyl phenylcarbamimidothioate?
The CAS number of Methyl phenylcarbamimidothioate is 27806-84-4.
What is the molecular formula of Methyl phenylcarbamimidothioate?
The molecular formula of Methyl phenylcarbamimidothioate is C8H10N2S.
What is the molecular weight of Methyl phenylcarbamimidothioate?
The molecular weight of Methyl phenylcarbamimidothioate is 166.06 g/mol.
Where can I buy Methyl phenylcarbamimidothioate?
You can request a quote for Methyl phenylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl phenylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl phenylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.