Carbamothioic acid, ethyl-, O-pentyl ester
TL;DR: Carbamothioic acid, ethyl-, O-pentyl ester (CAS 55860-52-1) is a chemical compound with molecular formula C8H17NOS and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-pentyl N-ethylcarbamothioate
Also Known As: O-Pentyl ethylcarbamothioate, O-Pentyl ethylthiocarbamate, O-pentyl N-ethylcarbamothioate, N-ethyl(pentyloxy)carbothioamide, Carbamothioic acid, ethyl-, O-pentyl ester
| Molecular Formula | C8H17NOS |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.0876 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 175.10309 |
| Heavy Atoms | 11 |
| Complexity | 106.26518 |
Chemical Identifiers
| CAS Number | 55860-52-1 |
|---|---|
| SMILES | CCCCCOC(=S)NCC |
Product Overview
Carbamothioic acid, ethyl-, O-pentyl ester (CAS 55860-52-1), with molecular formula C8H17NOS and molecular weight 175.10 g/mol. IUPAC: O-pentyl N-ethylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, ethyl-, O-pentyl ester
Property Insights of Carbamothioic acid, ethyl-, O-pentyl ester
The XLogP value of 2.0876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, ethyl-, O-pentyl ester. With a topological polar surface area (TPSA) of 21.26 Ų, Carbamothioic acid, ethyl-, O-pentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, ethyl-, O-pentyl ester 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 Carbamothioic acid, ethyl-, O-pentyl ester?
The CAS number of Carbamothioic acid, ethyl-, O-pentyl ester is 55860-52-1.
What is the molecular formula of Carbamothioic acid, ethyl-, O-pentyl ester?
The molecular formula of Carbamothioic acid, ethyl-, O-pentyl ester is C8H17NOS.
What is the molecular weight of Carbamothioic acid, ethyl-, O-pentyl ester?
The molecular weight of Carbamothioic acid, ethyl-, O-pentyl ester is 175.10 g/mol.
Where can I buy Carbamothioic acid, ethyl-, O-pentyl ester?
You can request a quote for Carbamothioic acid, ethyl-, O-pentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, ethyl-, O-pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, ethyl-, O-pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.