Ethyl 2-thiocyanatobutanoate
TL;DR: Ethyl 2-thiocyanatobutanoate (CAS 36320-68-0) is a chemical compound with molecular formula C7H11NO2S and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-thiocyanatobutanoate
Also Known As: Ethyl 2-thiocyanatobutanoate, ethyl 2-thiocyanobutanoate, ethyl 2-(cyanosulfanyl)butanoate
| Molecular Formula | C7H11NO2S |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 1.54238 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.05106 |
| Heavy Atoms | 11 |
| Complexity | 164.31374 |
Chemical Identifiers
| CAS Number | 36320-68-0 |
|---|---|
| SMILES | CCC(C(=O)OCC)SC#N |
Product Overview
Ethyl 2-thiocyanatobutanoate (CAS 36320-68-0), with molecular formula C7H11NO2S and molecular weight 173.05 g/mol. IUPAC: ethyl 2-thiocyanatobutanoate.
Chemical Property Profile of Ethyl 2-thiocyanatobutanoate
Property Insights of Ethyl 2-thiocyanatobutanoate
The XLogP value of 1.54238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-thiocyanatobutanoate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 2-thiocyanatobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-thiocyanatobutanoate has 0 hydrogen bond donor(s) and 4 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 Ethyl 2-thiocyanatobutanoate?
The CAS number of Ethyl 2-thiocyanatobutanoate is 36320-68-0.
What is the molecular formula of Ethyl 2-thiocyanatobutanoate?
The molecular formula of Ethyl 2-thiocyanatobutanoate is C7H11NO2S.
What is the molecular weight of Ethyl 2-thiocyanatobutanoate?
The molecular weight of Ethyl 2-thiocyanatobutanoate is 173.05 g/mol.
Where can I buy Ethyl 2-thiocyanatobutanoate?
You can request a quote for Ethyl 2-thiocyanatobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-thiocyanatobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-thiocyanatobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.