S-Phenyl dimethylthiocarbamate
TL;DR: S-Phenyl dimethylthiocarbamate (CAS 7304-68-9) 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-phenyl N,N-dimethylcarbamothioate
Also Known As: S-Phenyl dimethylthiocarbamate, S-Phenyl dimethylcarbamothioate, S-phenyl N,N-dimethylcarbamothioate, Dimethylthiocarbamic acid S-phenyl ester, Carbamothioic acid, dimethyl-, S-phenyl ester
| Molecular Formula | C9H11NOS |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.05614 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 7304-68-9 |
|---|---|
| SMILES | CN(C)C(=O)SC1=CC=CC=C1 |
| InChIKey | QOBYRYJXNXTWJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Phenyl dimethylthiocarbamate (CAS 7304-68-9), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: S-phenyl N,N-dimethylcarbamothioate.
Chemical Property Profile of S-Phenyl dimethylthiocarbamate
Property Insights of S-Phenyl dimethylthiocarbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Phenyl dimethylthiocarbamate. With a topological polar surface area (TPSA) of 45.6 Ų, S-Phenyl dimethylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Phenyl dimethylthiocarbamate 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 S-Phenyl dimethylthiocarbamate?
The CAS number of S-Phenyl dimethylthiocarbamate is 7304-68-9.
What is the molecular formula of S-Phenyl dimethylthiocarbamate?
The molecular formula of S-Phenyl dimethylthiocarbamate is C9H11NOS.
What is the molecular weight of S-Phenyl dimethylthiocarbamate?
The molecular weight of S-Phenyl dimethylthiocarbamate is 181.06 g/mol.
Where can I buy S-Phenyl dimethylthiocarbamate?
You can request a quote for S-Phenyl dimethylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Phenyl dimethylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-Phenyl dimethylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.