O-pentan-2-yl N-propylcarbamothioate
TL;DR: O-pentan-2-yl N-propylcarbamothioate (CAS 120903-96-0) is a chemical compound with molecular formula C9H19NOS and molecular weight 189.11873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-pentan-2-yl N-propylcarbamothioate
Also Known As: O-pentan-2-yl N-propylcarbamothioate, 1-pentan-2-yloxy-N-propyl-methanethioamide, O-Pentan-2-yl hydrogen propylcarbonimidothioate, O-(Pentan-2-yl) hydrogen propylcarbonimidothioate
Technical Specifications
| Molecular Formula | C9H19NOS |
| Molecular Weight | 189.11873 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 189.11873 Da |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
| SMILES | CCCC(C)OC(=S)NCCC |
| InChIKey | CHNUAFBJHZSWDC-UHFFFAOYSA-N |
Chemical Property Profile of O-pentan-2-yl N-propylcarbamothioate
Property Insights of O-pentan-2-yl N-propylcarbamothioate
The XLogP value of 3.1 indicates that O-pentan-2-yl N-propylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, O-pentan-2-yl N-propylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-pentan-2-yl N-propylcarbamothioate 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-propylcarbamothioate?
The CAS number of O-pentan-2-yl N-propylcarbamothioate is 120903-96-0.
What is the molecular formula of O-pentan-2-yl N-propylcarbamothioate?
The molecular formula of O-pentan-2-yl N-propylcarbamothioate is C9H19NOS.
What is the molecular weight of O-pentan-2-yl N-propylcarbamothioate?
The molecular weight of O-pentan-2-yl N-propylcarbamothioate is 189.11873 g/mol.
Where can I buy O-pentan-2-yl N-propylcarbamothioate?
You can request a quote for O-pentan-2-yl N-propylcarbamothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-pentan-2-yl N-propylcarbamothioate?
Yes, CoreyChem provides custom synthesis services for O-pentan-2-yl N-propylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.