S-Ethylisothiourea
TL;DR: S-Ethylisothiourea (CAS 2986-20-1) is a chemical compound with molecular formula C3H8N2S and molecular weight 104.04082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl carbamimidothioate
Also Known As: s-ethylisothiourea, etiron, ethyron, ethyl carbamimidothioate, 2-Ethyl-2-thiopseudourea
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H8N2S |
| Molecular Weight | 104.04082 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.04082 Da |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
| SMILES | CCSC(=N)N |
| InChIKey | VFIZBHJTOHUOEK-UHFFFAOYSA-N |
Product Description
Applications: S-Ethylisothiourea is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies S-Ethylisothiourea (CAS 2986-20-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
S-Ethylisothiourea (CAS 2986-20-1) is a pharmaceutical intermediate with the molecular formula C3H8N2S and a molecular weight of 104.04 g/mol. It is also known as s-ethylisothiourea and etiron.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 104.04082 g/mol.
What are the applications of S-Ethylisothiourea?
S-Ethylisothiourea is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies S-Ethylisothiourea (CAS 2986-20-1)...
Where can I buy S-Ethylisothiourea?
You can request a quote for S-Ethylisothiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-Ethylisothiourea?
Yes, CoreyChem provides custom synthesis services for S-Ethylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.