Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester
TL;DR: Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester (CAS 59300-35-5) is a chemical compound with molecular formula C10H17NOS and molecular weight 199.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-butyl-N-prop-2-ynylcarbamothioate
Also Known As: Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester, S-ethyl butyl(prop-2-yn-1-yl)carbamothioate, S-ethyl N-butyl-N-prop-2-ynylcarbamothioate, Carbamothioic acid, N-butyl-N-(2-propynyl), s-ethyl ester, N-butyl-N-(2-propynyl) carbamothioic acid, S-ethyl ester
| Molecular Formula | C10H17NOS |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 199.10309 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 59300-35-5 |
|---|---|
| SMILES | CCCCN(CC#C)C(=O)SCC |
| InChIKey | BDKSDZPMBZXPED-UHFFFAOYSA-N |
Product Overview
Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester (CAS 59300-35-5), with molecular formula C10H17NOS and molecular weight 199.10 g/mol. IUPAC: S-ethyl N-butyl-N-prop-2-ynylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester
Property Insights of Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester. With a topological polar surface area (TPSA) of 45.6 Ų, Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester has 0 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-butyl-N-(2-propynyl)-, S-ethyl ester?
The CAS number of Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester is 59300-35-5.
What is the molecular formula of Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester?
The molecular formula of Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester is C10H17NOS.
What is the molecular weight of Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester?
The molecular weight of Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester is 199.10 g/mol.
Where can I buy Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester?
You can request a quote for Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl 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-butyl-N-(2-propynyl)-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, N-butyl-N-(2-propynyl)-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.