S-(2-(N,N-Diisopropylamino)ethyl)isothiourea
TL;DR: S-(2-(N,N-Diisopropylamino)ethyl)isothiourea (CAS 142620-95-9) is a chemical compound with molecular formula C9H21N3S and molecular weight 203.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[di(propan-2-yl)amino]ethyl carbamimidothioate
Also Known As: DINOR, S-(2- isothiourea, S-(2-(N,N-Diisopropylamino)ethyl)isothiourea, 2-[di(propan-2-yl)amino]ethyl carbamimidothioate, 2-[2-(Diisopropylamino)ethyl]isothiourea
| Molecular Formula | C9H21N3S |
|---|---|
| Molecular Weight | 203.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 203.14561 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 142620-95-9 |
|---|---|
| SMILES | CC(C)N(CCSC(=N)N)C(C)C |
| InChIKey | LZIAMMQBHJIZAG-UHFFFAOYSA-N |
Product Overview
S-(2-(N,N-Diisopropylamino)ethyl)isothiourea (CAS 142620-95-9), with molecular formula C9H21N3S and molecular weight 203.15 g/mol. IUPAC: 2-[di(propan-2-yl)amino]ethyl carbamimidothioate.
Chemical Property Profile of S-(2-(N,N-Diisopropylamino)ethyl)isothiourea
Property Insights of S-(2-(N,N-Diisopropylamino)ethyl)isothiourea
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-(N,N-Diisopropylamino)ethyl)isothiourea. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-(N,N-Diisopropylamino)ethyl)isothiourea. Following Lipinski's Rule of Five, S-(2-(N,N-Diisopropylamino)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 S-(2-(N,N-Diisopropylamino)ethyl)isothiourea?
The CAS number of S-(2-(N,N-Diisopropylamino)ethyl)isothiourea is 142620-95-9.
What is the molecular formula of S-(2-(N,N-Diisopropylamino)ethyl)isothiourea?
The molecular formula of S-(2-(N,N-Diisopropylamino)ethyl)isothiourea is C9H21N3S.
What is the molecular weight of S-(2-(N,N-Diisopropylamino)ethyl)isothiourea?
The molecular weight of S-(2-(N,N-Diisopropylamino)ethyl)isothiourea is 203.15 g/mol.
Where can I buy S-(2-(N,N-Diisopropylamino)ethyl)isothiourea?
You can request a quote for S-(2-(N,N-Diisopropylamino)ethyl)isothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-(N,N-Diisopropylamino)ethyl)isothiourea?
Yes, KEHONG BIO provides custom synthesis services for S-(2-(N,N-Diisopropylamino)ethyl)isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.