![1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea structure](/static/products/6906/690690-10-9.webp)
1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
TL;DR: 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea (CAS 690690-10-9) is a chemical compound with molecular formula C12H16F3N3S and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
Also Known As: 1-[2-(dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea, J2.134.958E, 1-(2-dimethylaminoethyl)-3-[3-(trifluoromethyl)phenyl]thiourea, N-[2-(dimethylamino)ethyl]-N'-[3-(trifluoromethyl)phenyl]thiourea, 1-[3-(Trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethyl]thiourea
| Molecular Formula | C12H16F3N3S |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 2.5534 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.1017 |
| Heavy Atoms | 19 |
| Complexity | 432.47293 |
Chemical Identifiers
| CAS Number | 690690-10-9 |
|---|---|
| SMILES | CN(C)CCNC(=S)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea (CAS 690690-10-9), with molecular formula C12H16F3N3S and molecular weight 291.10 g/mol. IUPAC: 1-[2-(dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
Property Insights of 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
The XLogP value of 2.5534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea. With a topological polar surface area (TPSA) of 27.3 Ų, 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea has 2 hydrogen bond donor(s) and 2 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 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea?
The CAS number of 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea is 690690-10-9.
What is the molecular formula of 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea?
The molecular formula of 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea is C12H16F3N3S.
What is the molecular weight of 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea?
The molecular weight of 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea is 291.10 g/mol.
Where can I buy 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea?
You can request a quote for 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(Dimethylamino)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.