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 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C9H19NOS |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.4761 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 189.11873 |
| Heavy Atoms | 12 |
| Complexity | 127.696945 |
Chemical Identifiers
| CAS Number | 120903-96-0 |
|---|---|
| SMILES | CCCC(C)OC(=S)NCCC |
Product Overview
O-pentan-2-yl N-propylcarbamothioate (CAS 120903-96-0), with molecular formula C9H19NOS and molecular weight 189.12 g/mol. IUPAC: O-pentan-2-yl N-propylcarbamothioate.
Chemical Property Profile of O-pentan-2-yl N-propylcarbamothioate
Property Insights of O-pentan-2-yl N-propylcarbamothioate
The XLogP value of 2.4761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-pentan-2-yl N-propylcarbamothioate. With a topological polar surface area (TPSA) of 21.26 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
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 189.12 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-pentan-2-yl N-propylcarbamothioate?
Yes, KEHONG BIO 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.