Carbamimidothioic acid, 2-(acetylamino)ethyl ester
TL;DR: Carbamimidothioic acid, 2-(acetylamino)ethyl ester (CAS 55064-48-7) is a chemical compound with molecular formula C5H11N3OS and molecular weight 161.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamidoethyl carbamimidothioate
Also Known As: 2-acetamidoethyl carbamimidothioate, S-(2-acetylamino-ethyl)-isothiourea, 2-[2-(Acetylamino)ethyl]isothiourea, N-(2-carbamimidoylsulfanylethyl)acetamide, Carbamimidothioic acid, 2-(acetylamino)ethyl ester
| Molecular Formula | C5H11N3OS |
|---|---|
| Molecular Weight | 161.06 g/mol |
| LogP | -0.25083 |
| Topological Polar Surface Area | 78.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.06229 |
| Heavy Atoms | 10 |
| Complexity | 120.85475 |
Chemical Identifiers
| CAS Number | 55064-48-7 |
|---|---|
| SMILES | CC(=O)NCCSC(=N)N |
Product Overview
Carbamimidothioic acid, 2-(acetylamino)ethyl ester (CAS 55064-48-7), with molecular formula C5H11N3OS and molecular weight 161.06 g/mol. IUPAC: 2-acetamidoethyl carbamimidothioate.
Chemical Property Profile of Carbamimidothioic acid, 2-(acetylamino)ethyl ester
Property Insights of Carbamimidothioic acid, 2-(acetylamino)ethyl ester
The XLogP value of -0.25083 indicates that Carbamimidothioic acid, 2-(acetylamino)ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, 2-(acetylamino)ethyl ester. Following Lipinski's Rule of Five, Carbamimidothioic acid, 2-(acetylamino)ethyl ester has 3 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 Carbamimidothioic acid, 2-(acetylamino)ethyl ester?
The CAS number of Carbamimidothioic acid, 2-(acetylamino)ethyl ester is 55064-48-7.
What is the molecular formula of Carbamimidothioic acid, 2-(acetylamino)ethyl ester?
The molecular formula of Carbamimidothioic acid, 2-(acetylamino)ethyl ester is C5H11N3OS.
What is the molecular weight of Carbamimidothioic acid, 2-(acetylamino)ethyl ester?
The molecular weight of Carbamimidothioic acid, 2-(acetylamino)ethyl ester is 161.06 g/mol.
Where can I buy Carbamimidothioic acid, 2-(acetylamino)ethyl ester?
You can request a quote for Carbamimidothioic acid, 2-(acetylamino)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, 2-(acetylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, 2-(acetylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.