S-Ethylisothiourea
TL;DR: S-Ethylisothiourea (CAS 2986-20-1) is a chemical compound with molecular formula C3H8N2S and molecular weight 104.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl carbamimidothioate
Also Known As: s-ethylisothiourea, etiron, ethyron, ethyl carbamimidothioate, 2-Ethyl-2-thiopseudourea
| Molecular Formula | C3H8N2S |
|---|---|
| Molecular Weight | 104.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.04082 |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 2986-20-1 |
|---|---|
| SMILES | CCSC(=N)N |
| InChIKey | VFIZBHJTOHUOEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Ethylisothiourea (CAS 2986-20-1), with molecular formula C3H8N2S and molecular weight 104.04 g/mol. IUPAC: ethyl carbamimidothioate.
Chemical Property Profile of S-Ethylisothiourea
Property Insights of S-Ethylisothiourea
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Ethylisothiourea. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Ethylisothiourea. Following Lipinski's Rule of Five, S-Ethylisothiourea has 2 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 S-Ethylisothiourea?
The CAS number of S-Ethylisothiourea is 2986-20-1.
What is the molecular formula of S-Ethylisothiourea?
The molecular formula of S-Ethylisothiourea is C3H8N2S.
What is the molecular weight of S-Ethylisothiourea?
The molecular weight of S-Ethylisothiourea is 104.04 g/mol.
Where can I buy S-Ethylisothiourea?
You can request a quote for S-Ethylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for S-Ethylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.