S-isopropyl 4-methoxyphenylthiocarbamate
TL;DR: S-isopropyl 4-methoxyphenylthiocarbamate (CAS 152419-13-1) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-propan-2-yl N-(4-methoxyphenyl)carbamothioate
Also Known As: S-isopropyl n-(p-anisyl)thiolcarbamate, S-isopropyl 4-methoxyphenylthiocarbamate, S-propan-2-yl N-(4-methoxyphenyl)carbamothioate, N-(4-methoxyphenyl)(propan-2-ylsulfanyl)formamide, N-(4-methoxyphenyl)-1-propan-2-ylsulfanyl-formamide
Technical Specifications
| Molecular Formula | C11H15NO2S |
| Molecular Weight | 225.08235 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.08235 Da |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
| SMILES | CC(C)SC(=O)NC1=CC=C(C=C1)OC |
| InChIKey | CGFYIQYVXORNHS-UHFFFAOYSA-N |
Chemical Property Profile of S-isopropyl 4-methoxyphenylthiocarbamate
Property Insights of S-isopropyl 4-methoxyphenylthiocarbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-isopropyl 4-methoxyphenylthiocarbamate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-isopropyl 4-methoxyphenylthiocarbamate. Following Lipinski's Rule of Five, S-isopropyl 4-methoxyphenylthiocarbamate 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
What is the CAS number of S-isopropyl 4-methoxyphenylthiocarbamate?
The CAS number of S-isopropyl 4-methoxyphenylthiocarbamate is 152419-13-1.
What is the molecular formula of S-isopropyl 4-methoxyphenylthiocarbamate?
The molecular formula of S-isopropyl 4-methoxyphenylthiocarbamate is C11H15NO2S.
What is the molecular weight of S-isopropyl 4-methoxyphenylthiocarbamate?
The molecular weight of S-isopropyl 4-methoxyphenylthiocarbamate is 225.08235 g/mol.
Where can I buy S-isopropyl 4-methoxyphenylthiocarbamate?
You can request a quote for S-isopropyl 4-methoxyphenylthiocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-isopropyl 4-methoxyphenylthiocarbamate?
Yes, CoreyChem provides custom synthesis services for S-isopropyl 4-methoxyphenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.