Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester
TL;DR: Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester (CAS 55860-62-3) is a chemical compound with molecular formula C7H15NOS and molecular weight 161.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2-methylpropyl) N-ethylcarbamothioate
Also Known As: O-Isobutyl ethylthiocarbamate, O-isobutylethylthiocarbamate, EINECS 259-869-1, O-(2-methylpropyl) N-ethylcarbamothioate, Carbamothioic acid, ethyl-, O-(2-methylpropyl) ester
| Molecular Formula | C7H15NOS |
|---|---|
| Molecular Weight | 161.09 g/mol |
| LogP | 1.5534 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.08743 |
| Heavy Atoms | 10 |
| Complexity | 103.77923 |
Chemical Identifiers
| CAS Number | 55860-62-3 |
|---|---|
| SMILES | CCNC(=S)OCC(C)C |
Product Overview
Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester (CAS 55860-62-3), with molecular formula C7H15NOS and molecular weight 161.09 g/mol. IUPAC: O-(2-methylpropyl) N-ethylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester
Property Insights of Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester
The XLogP value of 1.5534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester. With a topological polar surface area (TPSA) of 21.26 Ų, Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) 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, N-ethyl-, O-(2-methylpropyl) ester?
The CAS number of Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester is 55860-62-3.
What is the molecular formula of Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester?
The molecular formula of Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester is C7H15NOS.
What is the molecular weight of Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester?
The molecular weight of Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester is 161.09 g/mol.
Where can I buy Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester?
You can request a quote for Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) 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, N-ethyl-, O-(2-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.