ethyl N'-aminocarbamimidothioate
TL;DR: ethyl N'-aminocarbamimidothioate (CAS 31424-47-2) is a chemical compound with molecular formula C3H9N3S and molecular weight 119.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N'-aminocarbamimidothioate
Also Known As: ethyl N'-aminocarbamimidothioate, S-ethylisothiosemicarbazide, Ethyl hydrazonothiocarbamate, Ethyl carbamohydrazonothioate, Hydrazinecarboximidothioic acid, ethyl ester
| Molecular Formula | C3H9N3S |
|---|---|
| Molecular Weight | 119.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.05172 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 31424-47-2 |
|---|---|
| SMILES | CCSC(=NN)N |
| InChIKey | FJAQOSQLBLPALR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl N'-aminocarbamimidothioate (CAS 31424-47-2), with molecular formula C3H9N3S and molecular weight 119.05 g/mol. IUPAC: ethyl N'-aminocarbamimidothioate.
Chemical Property Profile of ethyl N'-aminocarbamimidothioate
Property Insights of ethyl N'-aminocarbamimidothioate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N'-aminocarbamimidothioate. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N'-aminocarbamimidothioate. Following Lipinski's Rule of Five, ethyl N'-aminocarbamimidothioate 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 ethyl N'-aminocarbamimidothioate?
The CAS number of ethyl N'-aminocarbamimidothioate is 31424-47-2.
What is the molecular formula of ethyl N'-aminocarbamimidothioate?
The molecular formula of ethyl N'-aminocarbamimidothioate is C3H9N3S.
What is the molecular weight of ethyl N'-aminocarbamimidothioate?
The molecular weight of ethyl N'-aminocarbamimidothioate is 119.05 g/mol.
Where can I buy ethyl N'-aminocarbamimidothioate?
You can request a quote for ethyl N'-aminocarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N'-aminocarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N'-aminocarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.