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1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
TL;DR: 1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea (CAS 690688-86-9) is a chemical compound with molecular formula C13H11F3N2S2 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
Also Known As: 1-(thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea, AB01328348-02
| Molecular Formula | C13H11F3N2S2 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 4.2535 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0316 |
| Heavy Atoms | 20 |
| Complexity | 579.55225 |
Chemical Identifiers
| CAS Number | 690688-86-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NCC2=CC=CS2)C(F)(F)F |
Product Overview
1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea (CAS 690688-86-9), with molecular formula C13H11F3N2S2 and molecular weight 316.03 g/mol. IUPAC: 1-(thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of 1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
Property Insights of 1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
The XLogP value of 4.2535 indicates that 1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Thiophen-2-ylmethyl)-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-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
The CAS number of 1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea is 690688-86-9.
What is the molecular formula of 1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
The molecular formula of 1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea is C13H11F3N2S2.
What is the molecular weight of 1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
The molecular weight of 1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea is 316.03 g/mol.
Where can I buy 1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
You can request a quote for 1-(Thiophen-2-ylmethyl)-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-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.