ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate
TL;DR: ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate (CAS 66645-98-5) is a chemical compound with molecular formula C8H10N2O2S2 and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(thiophen-3-ylcarbamothioyl)carbamate
Also Known As: ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate, ethyl N-(thiophen-3-ylcarbamothioyl)carbamate, Ethyl [(thiophen-3-yl)carbamothioyl]carbamate, 4-thiophen-3-yl-3-thio-allophanic acid ethyl ester, ETHYL N-[(THIOPHEN-3-YL)CARBAMOTHIOYL]CARBAMATE
| Molecular Formula | C8H10N2O2S2 |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 2.191 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.01837 |
| Heavy Atoms | 14 |
| Complexity | 311.151 |
Chemical Identifiers
| CAS Number | 66645-98-5 |
|---|---|
| SMILES | CCOC(=O)NC(=S)NC1=CSC=C1 |
Product Overview
ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate (CAS 66645-98-5), with molecular formula C8H10N2O2S2 and molecular weight 230.02 g/mol. IUPAC: ethyl N-(thiophen-3-ylcarbamothioyl)carbamate.
Chemical Property Profile of ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate
Property Insights of ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate
The XLogP value of 2.191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate. With a topological polar surface area (TPSA) of 50.36 Ų, ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate has 2 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 N-(thiophen-3-ylthiocarbamoyl)carbamate?
The CAS number of ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate is 66645-98-5.
What is the molecular formula of ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate?
The molecular formula of ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate is C8H10N2O2S2.
What is the molecular weight of ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate?
The molecular weight of ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate is 230.02 g/mol.
Where can I buy ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate?
You can request a quote for ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(thiophen-3-ylthiocarbamoyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.