methyl N-phenylbenzenecarboximidothioate
TL;DR: methyl N-phenylbenzenecarboximidothioate (CAS 52019-85-9) is a chemical compound with molecular formula C14H13NS and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-phenylbenzenecarboximidothioate
Also Known As: methyl N-phenylbenzenecarboximidothioate, methyl N-phenylbenzenecarbimidothioate, N-Phenyl-thiobenzimidic acid methyl ester, Thiobenzimidic acid, N-phenyl-, methyl ester, N-Phenyl-thiobenzimidsaeure-methylester
| Molecular Formula | C14H13NS |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | 4.1279 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.07687 |
| Heavy Atoms | 16 |
| Complexity | 462.60873 |
Chemical Identifiers
| CAS Number | 52019-85-9 |
|---|---|
| SMILES | CSC(=NC1=CC=CC=C1)C2=CC=CC=C2 |
Product Overview
methyl N-phenylbenzenecarboximidothioate (CAS 52019-85-9), with molecular formula C14H13NS and molecular weight 227.08 g/mol. IUPAC: methyl N-phenylbenzenecarboximidothioate.
Chemical Property Profile of methyl N-phenylbenzenecarboximidothioate
Property Insights of methyl N-phenylbenzenecarboximidothioate
The XLogP value of 4.1279 indicates that methyl N-phenylbenzenecarboximidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, methyl N-phenylbenzenecarboximidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-phenylbenzenecarboximidothioate has 0 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-phenylbenzenecarboximidothioate?
The CAS number of methyl N-phenylbenzenecarboximidothioate is 52019-85-9.
What is the molecular formula of methyl N-phenylbenzenecarboximidothioate?
The molecular formula of methyl N-phenylbenzenecarboximidothioate is C14H13NS.
What is the molecular weight of methyl N-phenylbenzenecarboximidothioate?
The molecular weight of methyl N-phenylbenzenecarboximidothioate is 227.08 g/mol.
Where can I buy methyl N-phenylbenzenecarboximidothioate?
You can request a quote for methyl N-phenylbenzenecarboximidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-phenylbenzenecarboximidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-phenylbenzenecarboximidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.