S-(对甲苯基)甲硫基氨基甲酸酯
TL;DR: S-(对甲苯基)甲硫基氨基甲酸酯 (CAS 16066-90-3) is a chemical compound with molecular formula C9H11NOS and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(对甲苯基)甲硫基氨基甲酸酯
S-(4-methylphenyl) N-methylcarbamothioate
Also Known As: S-p-tolyl methylcarbamothioate, S-(4-methylphenyl) N-methylcarbamothioate, Carbamthiolic acid, N-methyl-, p-tolyl ester, CARBAMIC ACID, METHYLTHIO-, S-(p-TOLYL) ESTER, S-(4-methylphenyl) methylcarbamothioate
| Molecular Formula | C9H11NOS |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.05614 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 16066-90-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)NC |
| InChIKey | QGAUXQOYLNHWDG-UHFFFAOYSA-N |
Product Overview
S-(对甲苯基)甲硫基氨基甲酸酯 (CAS 16066-90-3), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: S-(4-methylphenyl) N-methylcarbamothioate.
Chemical Property Profile of S-(对甲苯基)甲硫基氨基甲酸酯
Property Insights of S-(对甲苯基)甲硫基氨基甲酸酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(对甲苯基)甲硫基氨基甲酸酯. With a topological polar surface area (TPSA) of 54.4 Ų, S-(对甲苯基)甲硫基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(对甲苯基)甲硫基氨基甲酸酯 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 S-(对甲苯基)甲硫基氨基甲酸酯?
The CAS number of S-(对甲苯基)甲硫基氨基甲酸酯 is 16066-90-3.
What is the molecular formula of S-(对甲苯基)甲硫基氨基甲酸酯?
The molecular formula of S-(对甲苯基)甲硫基氨基甲酸酯 is C9H11NOS.
What is the molecular weight of S-(对甲苯基)甲硫基氨基甲酸酯?
The molecular weight of S-(对甲苯基)甲硫基氨基甲酸酯 is 181.06 g/mol.
Where can I buy S-(对甲苯基)甲硫基氨基甲酸酯?
You can request a quote for S-(对甲苯基)甲硫基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(对甲苯基)甲硫基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for S-(对甲苯基)甲硫基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.