s-Ethyl(furan-2-ylmethyl)carbamothioate
TL;DR: s-Ethyl(furan-2-ylmethyl)carbamothioate (CAS 88064-00-0) is a chemical compound with molecular formula C8H11NO2S and molecular weight 185.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-(furan-2-ylmethyl)carbamothioate
Also Known As: NCIOpen2_000282, s-ethyl(furan-2-ylmethyl)carbamothioate, S-ethyl N-(furan-2-ylmethyl)carbamothioate, S-Ethyl [(furan-2-yl)methyl]carbamothioate
| Molecular Formula | C8H11NO2S |
|---|---|
| Molecular Weight | 185.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 185.05106 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 88064-00-0 |
|---|---|
| SMILES | CCSC(=O)NCC1=CC=CO1 |
| InChIKey | UATAQWQZXYDULM-UHFFFAOYSA-N |
Product Overview
s-Ethyl(furan-2-ylmethyl)carbamothioate (CAS 88064-00-0), with molecular formula C8H11NO2S and molecular weight 185.05 g/mol. IUPAC: S-ethyl N-(furan-2-ylmethyl)carbamothioate.
Chemical Property Profile of s-Ethyl(furan-2-ylmethyl)carbamothioate
Property Insights of s-Ethyl(furan-2-ylmethyl)carbamothioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-Ethyl(furan-2-ylmethyl)carbamothioate. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for s-Ethyl(furan-2-ylmethyl)carbamothioate. Following Lipinski's Rule of Five, s-Ethyl(furan-2-ylmethyl)carbamothioate has 1 hydrogen bond donor(s) and 3 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 s-Ethyl(furan-2-ylmethyl)carbamothioate?
The CAS number of s-Ethyl(furan-2-ylmethyl)carbamothioate is 88064-00-0.
What is the molecular formula of s-Ethyl(furan-2-ylmethyl)carbamothioate?
The molecular formula of s-Ethyl(furan-2-ylmethyl)carbamothioate is C8H11NO2S.
What is the molecular weight of s-Ethyl(furan-2-ylmethyl)carbamothioate?
The molecular weight of s-Ethyl(furan-2-ylmethyl)carbamothioate is 185.05 g/mol.
Where can I buy s-Ethyl(furan-2-ylmethyl)carbamothioate?
You can request a quote for s-Ethyl(furan-2-ylmethyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Ethyl(furan-2-ylmethyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for s-Ethyl(furan-2-ylmethyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.