2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2)
TL;DR: 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2) (CAS 871-25-0) is a chemical compound with molecular formula C3H11Cl2N3S and molecular weight 191.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl carbamimidothioate;dihydrochloride
Also Known As: AET dichloride, 2-Aminoethylisothiouronium dichloride, 2-Aminoethyl-2-thiopseudourea dichloride, 2-(Aminoethyl)-isothiouronium dihydrochloride, S-beta-Aminoethylisothiouronic dihydrochloride
| Molecular Formula | C3H11Cl2N3S |
|---|---|
| Molecular Weight | 191.01 g/mol |
| LogP | 0.42 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.00508 |
| Heavy Atoms | 9 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 871-25-0 |
|---|---|
| SMILES | C(CSC(=N)N)N.Cl.Cl |
| InChIKey | KKGIJYWJSRZTHR-UHFFFAOYSA-N |
Product Overview
2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2) (CAS 871-25-0), with molecular formula C3H11Cl2N3S and molecular weight 191.01 g/mol. IUPAC: 2-aminoethyl carbamimidothioate;dihydrochloride.
Chemical Property Profile of 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2)
Property Insights of 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2)
The XLogP value of 0.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2). The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2). Following Lipinski's Rule of Five, 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2) has 5 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-Aminoethyl carbamimidothioate--hydrogen chloride (1/2)?
The CAS number of 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2) is 871-25-0.
What is the molecular formula of 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2)?
The molecular formula of 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2) is C3H11Cl2N3S.
What is the molecular weight of 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2)?
The molecular weight of 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2) is 191.01 g/mol.
Where can I buy 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2)?
You can request a quote for 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminoethyl carbamimidothioate--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.