S-Phenanthren-3-yl dimethylcarbamothioate
TL;DR: S-Phenanthren-3-yl dimethylcarbamothioate (CAS 13512-04-4) is a chemical compound with molecular formula C17H15NOS and molecular weight 281.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-phenanthren-3-yl N,N-dimethylcarbamothioate
Also Known As: S-Phenanthren-3-yl dimethylcarbamothioate, S-(Phenanthren-3-yl) dimethylcarbamothioate, S-phenanthren-3-yl N,N-dimethylcarbamothioate
Technical Specifications
| Molecular Formula | C17H15NOS |
| Molecular Weight | 281.08743 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.08743 Da |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
| SMILES | CN(C)C(=O)SC1=CC2=C(C=CC3=CC=CC=C32)C=C1 |
| InChIKey | PRXJRNRVDJKQJG-UHFFFAOYSA-N |
Chemical Property Profile of S-Phenanthren-3-yl dimethylcarbamothioate
Property Insights of S-Phenanthren-3-yl dimethylcarbamothioate
The XLogP value of 4.7 indicates that S-Phenanthren-3-yl dimethylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, S-Phenanthren-3-yl dimethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Phenanthren-3-yl dimethylcarbamothioate 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
What is the CAS number of S-Phenanthren-3-yl dimethylcarbamothioate?
The CAS number of S-Phenanthren-3-yl dimethylcarbamothioate is 13512-04-4.
What is the molecular formula of S-Phenanthren-3-yl dimethylcarbamothioate?
The molecular formula of S-Phenanthren-3-yl dimethylcarbamothioate is C17H15NOS.
What is the molecular weight of S-Phenanthren-3-yl dimethylcarbamothioate?
The molecular weight of S-Phenanthren-3-yl dimethylcarbamothioate is 281.08743 g/mol.
Where can I buy S-Phenanthren-3-yl dimethylcarbamothioate?
You can request a quote for S-Phenanthren-3-yl dimethylcarbamothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-Phenanthren-3-yl dimethylcarbamothioate?
Yes, CoreyChem provides custom synthesis services for S-Phenanthren-3-yl dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.