2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid
TL;DR: 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid (CAS 5422-77-5) is a chemical compound with molecular formula C6H11N3S3 and molecular weight 221.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-sulfanylideneimidazolidin-1-yl)ethylcarbamodithioic acid
Also Known As: 2-(2-thioxoimidazolidin-1-yl)ethylcarbamodithioic acid, 2-(2-sulfanylideneimidazolidin-1-yl)ethylcarbamodithioic acid, Carbamodithioic acid, [2-(2-thioxo-1-imidazolidinyl)ethyl]-
| Molecular Formula | C6H11N3S3 |
|---|---|
| Molecular Weight | 221.01 g/mol |
| LogP | -0.0192 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.0115 |
| Heavy Atoms | 12 |
| Complexity | 194.47733 |
Chemical Identifiers
| CAS Number | 5422-77-5 |
|---|---|
| SMILES | C1CN(C(=S)N1)CCNC(=S)S |
Product Overview
2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid (CAS 5422-77-5), with molecular formula C6H11N3S3 and molecular weight 221.01 g/mol. IUPAC: 2-(2-sulfanylideneimidazolidin-1-yl)ethylcarbamodithioic acid.
Chemical Property Profile of 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid
Property Insights of 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid
The XLogP value of -0.0192 indicates that 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.3 Ų, 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid has 3 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 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid?
The CAS number of 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid is 5422-77-5.
What is the molecular formula of 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid?
The molecular formula of 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid is C6H11N3S3.
What is the molecular weight of 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid?
The molecular weight of 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid is 221.01 g/mol.
Where can I buy 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid?
You can request a quote for 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Thioxoimidazolidin-1-yl)ethylcarbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.