Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
TL;DR: Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) (CAS 5445-68-1) is a chemical compound with molecular formula C7H18ClN3S and molecular weight 211.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl carbamimidothioate;hydrochloride
Also Known As: Pseudourea, hydrochloride, 2-Diethylaminoethyl isothiouronium chloride, Carbamimidothioic acid, monohydrochloride, 2-(2-(Diethylamino)ethyl)isothiourea monohydrochloride, 2-(Diethylamino)ethyl isothiouronium chloride
| Molecular Formula | C7H18ClN3S |
|---|---|
| Molecular Weight | 211.09 g/mol |
| LogP | 1.38 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.091 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 5445-68-1 |
|---|---|
| SMILES | CCN(CC)CCSC(=N)N.Cl |
| InChIKey | HQPKXVDUSOJXEB-UHFFFAOYSA-N |
Product Overview
Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) (CAS 5445-68-1), with molecular formula C7H18ClN3S and molecular weight 211.09 g/mol. IUPAC: 2-(diethylamino)ethyl carbamimidothioate;hydrochloride.
Chemical Property Profile of Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
Property Insights of Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
The XLogP value of 1.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1). The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1). Following Lipinski's Rule of Five, Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) 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-(diethylamino)ethyl ester, hydrochloride (1:1)?
The CAS number of Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is 5445-68-1.
What is the molecular formula of Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
The molecular formula of Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is C7H18ClN3S.
What is the molecular weight of Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
The molecular weight of Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is 211.09 g/mol.
Where can I buy Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
You can request a quote for Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) 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-(diethylamino)ethyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.