S-isopropyl 3-methylphenylthiocarbamate
TL;DR: S-isopropyl 3-methylphenylthiocarbamate (CAS 152419-09-5) is a chemical compound with molecular formula C11H15NOS and molecular weight 209.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-propan-2-yl N-(3-methylphenyl)carbamothioate
Also Known As: S-isopropyl n-(m-tolyl)thiolcarbamate, S-isopropyl 3-methylphenylthiocarbamate, S-propan-2-yl N-(3-methylphenyl)carbamothioate, N-(3-methylphenyl)-1-propan-2-ylsulfanyl-formamide
Technical Specifications
| Molecular Formula | C11H15NOS |
| Molecular Weight | 209.08743 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08743 Da |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
| SMILES | CC1=CC(=CC=C1)NC(=O)SC(C)C |
| InChIKey | ZBEMTXOGSRLQTQ-UHFFFAOYSA-N |
Chemical Property Profile of S-isopropyl 3-methylphenylthiocarbamate
Property Insights of S-isopropyl 3-methylphenylthiocarbamate
The XLogP value of 3.4 indicates that S-isopropyl 3-methylphenylthiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, S-isopropyl 3-methylphenylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-isopropyl 3-methylphenylthiocarbamate 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
What is the CAS number of S-isopropyl 3-methylphenylthiocarbamate?
The CAS number of S-isopropyl 3-methylphenylthiocarbamate is 152419-09-5.
What is the molecular formula of S-isopropyl 3-methylphenylthiocarbamate?
The molecular formula of S-isopropyl 3-methylphenylthiocarbamate is C11H15NOS.
What is the molecular weight of S-isopropyl 3-methylphenylthiocarbamate?
The molecular weight of S-isopropyl 3-methylphenylthiocarbamate is 209.08743 g/mol.
Where can I buy S-isopropyl 3-methylphenylthiocarbamate?
You can request a quote for S-isopropyl 3-methylphenylthiocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-isopropyl 3-methylphenylthiocarbamate?
Yes, CoreyChem provides custom synthesis services for S-isopropyl 3-methylphenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.