2-Cyanoethyl carbamimidothioate
TL;DR: 2-Cyanoethyl carbamimidothioate (CAS 57536-15-9) is a chemical compound with molecular formula C4H7N3S and molecular weight 129.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl carbamimidothioate
Also Known As: S-(2-cyano-ethyl)-isothiourea, 2-cyanoethyl carbamimidothioate, (2-Cyanoethylthio)methanamidine, 3-(carbamimidoylsulfanyl)propanenitrile, J1.439.446J
| Molecular Formula | C4H7N3S |
|---|---|
| Molecular Weight | 129.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.03607 |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 57536-15-9 |
|---|---|
| SMILES | C(CSC(=N)N)C#N |
| InChIKey | ABSHJWZFDFHKRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyanoethyl carbamimidothioate (CAS 57536-15-9), with molecular formula C4H7N3S and molecular weight 129.04 g/mol. IUPAC: 2-cyanoethyl carbamimidothioate.
Chemical Property Profile of 2-Cyanoethyl carbamimidothioate
Property Insights of 2-Cyanoethyl carbamimidothioate
The XLogP value of -0.1 indicates that 2-Cyanoethyl carbamimidothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyanoethyl carbamimidothioate. Following Lipinski's Rule of Five, 2-Cyanoethyl carbamimidothioate has 2 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 2-Cyanoethyl carbamimidothioate?
The CAS number of 2-Cyanoethyl carbamimidothioate is 57536-15-9.
What is the molecular formula of 2-Cyanoethyl carbamimidothioate?
The molecular formula of 2-Cyanoethyl carbamimidothioate is C4H7N3S.
What is the molecular weight of 2-Cyanoethyl carbamimidothioate?
The molecular weight of 2-Cyanoethyl carbamimidothioate is 129.04 g/mol.
Where can I buy 2-Cyanoethyl carbamimidothioate?
You can request a quote for 2-Cyanoethyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.