2-(2-(Diethylamino)ethyl)isothiourea
TL;DR: 2-(2-(Diethylamino)ethyl)isothiourea (CAS 17124-83-3) is a chemical compound with molecular formula C7H17N3S and molecular weight 175.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl carbamimidothioate
Also Known As: 2-(diethylamino)ethyl carbamimidothioate, 2-(2-(Diethylamino)ethyl)isothiourea, 2-[2-(Diethylamino)ethyl]isothiourea, 2-diethylaminoethyl carbamimidothioate, S-(2-diethylamino-ethyl)-isothiourea
| Molecular Formula | C7H17N3S |
|---|---|
| Molecular Weight | 175.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 175.11432 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 17124-83-3 |
|---|---|
| SMILES | CCN(CC)CCSC(=N)N |
| InChIKey | KIPQFURXJLXUFT-UHFFFAOYSA-N |
Product Overview
2-(2-(Diethylamino)ethyl)isothiourea (CAS 17124-83-3), with molecular formula C7H17N3S and molecular weight 175.11 g/mol. IUPAC: 2-(diethylamino)ethyl carbamimidothioate.
Chemical Property Profile of 2-(2-(Diethylamino)ethyl)isothiourea
Property Insights of 2-(2-(Diethylamino)ethyl)isothiourea
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(Diethylamino)ethyl)isothiourea. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(Diethylamino)ethyl)isothiourea. Following Lipinski's Rule of Five, 2-(2-(Diethylamino)ethyl)isothiourea has 2 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-(2-(Diethylamino)ethyl)isothiourea?
The CAS number of 2-(2-(Diethylamino)ethyl)isothiourea is 17124-83-3.
What is the molecular formula of 2-(2-(Diethylamino)ethyl)isothiourea?
The molecular formula of 2-(2-(Diethylamino)ethyl)isothiourea is C7H17N3S.
What is the molecular weight of 2-(2-(Diethylamino)ethyl)isothiourea?
The molecular weight of 2-(2-(Diethylamino)ethyl)isothiourea is 175.11 g/mol.
Where can I buy 2-(2-(Diethylamino)ethyl)isothiourea?
You can request a quote for 2-(2-(Diethylamino)ethyl)isothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(Diethylamino)ethyl)isothiourea?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(Diethylamino)ethyl)isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.