O-pentan-2-yl N-ethylcarbamothioate
TL;DR: O-pentan-2-yl N-ethylcarbamothioate (CAS 120903-92-6) is a chemical compound with molecular formula C8H17NOS and molecular weight 175.10309 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-pentan-2-yl N-ethylcarbamothioate
Also Known As: O-pentan-2-yl N-ethylcarbamothioate, N-ethyl-1-pentan-2-yloxy-methanethioamide, O-Pentan-2-yl hydrogen ethylcarbonimidothioate, O-(Pentan-2-yl) hydrogen ethylcarbonimidothioate
Technical Specifications
| Molecular Formula | C8H17NOS |
| Molecular Weight | 175.10309 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 175.10309 Da |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
| SMILES | CCCC(C)OC(=S)NCC |
| InChIKey | YQLMVQHUFYPAHZ-UHFFFAOYSA-N |
Chemical Property Profile of O-pentan-2-yl N-ethylcarbamothioate
Property Insights of O-pentan-2-yl N-ethylcarbamothioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-pentan-2-yl N-ethylcarbamothioate. With a topological polar surface area (TPSA) of 53.4 Ų, O-pentan-2-yl N-ethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-pentan-2-yl N-ethylcarbamothioate 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 O-pentan-2-yl N-ethylcarbamothioate?
The CAS number of O-pentan-2-yl N-ethylcarbamothioate is 120903-92-6.
What is the molecular formula of O-pentan-2-yl N-ethylcarbamothioate?
The molecular formula of O-pentan-2-yl N-ethylcarbamothioate is C8H17NOS.
What is the molecular weight of O-pentan-2-yl N-ethylcarbamothioate?
The molecular weight of O-pentan-2-yl N-ethylcarbamothioate is 175.10309 g/mol.
Where can I buy O-pentan-2-yl N-ethylcarbamothioate?
You can request a quote for O-pentan-2-yl N-ethylcarbamothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-pentan-2-yl N-ethylcarbamothioate?
Yes, CoreyChem provides custom synthesis services for O-pentan-2-yl N-ethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.