2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2)
TL;DR: 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2) (CAS 17124-73-1) is a chemical compound with molecular formula C7H19Cl2N3S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2)
2-(diethylamino)ethyl carbamimidothioate;dihydrochloride
Also Known As: 2-Diethylaminoethylisothiuronium chloride hydrochloride, 2-diethylaminoethyl carbamimidothioate dihydrochloride, 2-(2-(Diethylammonio)ethyl)isothiouronium dichloride, 2-(2-(Diethylamino)ethyl)-2-thiopseudourea dihydrochloride, (amino{[2-(diethylammonio)ethyl]sulfanyl}methylene)ammoniumdichloride
| Molecular Formula | C7H19Cl2N3S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.06767 |
| Heavy Atoms | 13 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 17124-73-1 |
|---|---|
| SMILES | CCN(CC)CCSC(=N)N.Cl.Cl |
| InChIKey | QMSYVGCCVPYKCT-UHFFFAOYSA-N |
Product Overview
2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2) (CAS 17124-73-1), with molecular formula C7H19Cl2N3S and molecular weight 247.07 g/mol. IUPAC: 2-(diethylamino)ethyl carbamimidothioate;dihydrochloride.
Chemical Property Profile of 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2)
Property Insights of 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2). The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2). Following Lipinski's Rule of Five, 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2) 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-(二乙氨基)乙基脒基硫酯-氯化氢(1/2)?
The CAS number of 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2) is 17124-73-1.
What is the molecular formula of 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2)?
The molecular formula of 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2) is C7H19Cl2N3S.
What is the molecular weight of 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2)?
The molecular weight of 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2) is 247.07 g/mol.
Where can I buy 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2)?
You can request a quote for 2-(二乙氨基)乙基脒基硫酯-氯化氢(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-(二乙氨基)乙基脒基硫酯-氯化氢(1/2)?
Yes, KEHONG BIO provides custom synthesis services for 2-(二乙氨基)乙基脒基硫酯-氯化氢(1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.