1-Phenethyl-3-pyrimidin-2-ylthiourea
TL;DR: 1-Phenethyl-3-pyrimidin-2-ylthiourea (CAS 5454-37-5) is a chemical compound with molecular formula C13H14N4S and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-phenylethyl)-3-pyrimidin-2-ylthiourea
Also Known As: 1-phenethyl-3-pyrimidin-2-ylthiourea, 1-phenethyl-3-(2-pyrimidyl)thiourea, 1-phenethyl-3-(pyrimidin-2-yl)thiourea, 1-(2-phenylethyl)-3-pyrimidin-2-ylthiourea, 1-(2-phenylethyl)-3-(2-pyrimidinyl)thiourea
| Molecular Formula | C13H14N4S |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.0057 |
| Topological Polar Surface Area | 49.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0939 |
| Heavy Atoms | 18 |
| Complexity | 486.85913 |
Chemical Identifiers
| CAS Number | 5454-37-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=S)NC2=NC=CC=N2 |
Product Overview
1-Phenethyl-3-pyrimidin-2-ylthiourea (CAS 5454-37-5), with molecular formula C13H14N4S and molecular weight 258.09 g/mol. IUPAC: 1-(2-phenylethyl)-3-pyrimidin-2-ylthiourea.
Chemical Property Profile of 1-Phenethyl-3-pyrimidin-2-ylthiourea
Property Insights of 1-Phenethyl-3-pyrimidin-2-ylthiourea
The XLogP value of 2.0057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenethyl-3-pyrimidin-2-ylthiourea. With a topological polar surface area (TPSA) of 49.84 Ų, 1-Phenethyl-3-pyrimidin-2-ylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenethyl-3-pyrimidin-2-ylthiourea 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 1-Phenethyl-3-pyrimidin-2-ylthiourea?
The CAS number of 1-Phenethyl-3-pyrimidin-2-ylthiourea is 5454-37-5.
What is the molecular formula of 1-Phenethyl-3-pyrimidin-2-ylthiourea?
The molecular formula of 1-Phenethyl-3-pyrimidin-2-ylthiourea is C13H14N4S.
What is the molecular weight of 1-Phenethyl-3-pyrimidin-2-ylthiourea?
The molecular weight of 1-Phenethyl-3-pyrimidin-2-ylthiourea is 258.09 g/mol.
Where can I buy 1-Phenethyl-3-pyrimidin-2-ylthiourea?
You can request a quote for 1-Phenethyl-3-pyrimidin-2-ylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenethyl-3-pyrimidin-2-ylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenethyl-3-pyrimidin-2-ylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.