2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1)
TL;DR: 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1) (CAS 2986-29-0) is a chemical compound with molecular formula C3H9BrN2OS and molecular weight 199.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl carbamimidothioate;hydrobromide
Also Known As: 2-hydroxyethyl imidothiocarbamate, 2-hydroxyethl imidothiocarbamate, Carbamimidothioic acid,2-hydroxyethyl ester, 2-(carbamimidoylsulfanyl)ethan-1-ol, 2-HYDROXYETHYLIMIDOTHIOCARBAMATE
| Molecular Formula | C3H9BrN2OS |
|---|---|
| Molecular Weight | 199.96 g/mol |
| LogP | 0.18 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.9619 |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 2986-29-0 |
|---|---|
| SMILES | C(CSC(=N)N)O.Br |
| InChIKey | ZQNZNOCKUSGRAL-UHFFFAOYSA-N |
Product Overview
2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1) (CAS 2986-29-0), with molecular formula C3H9BrN2OS and molecular weight 199.96 g/mol. IUPAC: 2-hydroxyethyl carbamimidothioate;hydrobromide.
Chemical Property Profile of 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1)
Property Insights of 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1)
The XLogP value of 0.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1). The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1). Following Lipinski's Rule of Five, 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1) has 4 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-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1)?
The CAS number of 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1) is 2986-29-0.
What is the molecular formula of 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1)?
The molecular formula of 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1) is C3H9BrN2OS.
What is the molecular weight of 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1)?
The molecular weight of 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1) is 199.96 g/mol.
Where can I buy 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1)?
You can request a quote for 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyethyl carbamimidothioate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.