Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester
TL;DR: Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester (CAS 66018-75-5) is a chemical compound with molecular formula C14H13NOS and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-methylphenyl) N-phenylcarbamothioate
Also Known As: s-(p-tolyl) n-phenylthiocarbamate, S-(4-methylphenyl) N-phenylcarbamothioate, Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester, S-(4-methylphenyl) phenylthiocarbamate, S-(4-Methylphenyl) phenylcarbamothioate
| Molecular Formula | C14H13NOS |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 4.31922 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.0718 |
| Heavy Atoms | 17 |
| Complexity | 493.39047 |
Chemical Identifiers
| CAS Number | 66018-75-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)NC2=CC=CC=C2 |
Product Overview
Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester (CAS 66018-75-5), with molecular formula C14H13NOS and molecular weight 243.07 g/mol. IUPAC: S-(4-methylphenyl) N-phenylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester
Property Insights of Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester
The XLogP value of 4.31922 indicates that Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester 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 Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester?
The CAS number of Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester is 66018-75-5.
What is the molecular formula of Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester?
The molecular formula of Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester is C14H13NOS.
What is the molecular weight of Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester?
The molecular weight of Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester is 243.07 g/mol.
Where can I buy Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester?
You can request a quote for Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, phenyl-, S-(4-methylphenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.