1-Hexyl-3-phenyl-2-thiourea
TL;DR: 1-Hexyl-3-phenyl-2-thiourea (CAS 151530-40-4) is a chemical compound with molecular formula C13H20N2S and molecular weight 236.13472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hexyl-3-phenylthiourea
Also Known As: 1-Hexyl-3-phenyl-2-thiourea, 1-hexyl-3-phenylthiourea, 3-hexyl-1-phenylthiourea, Thiourea, N-hexyl-N'-phenyl-, n-Hexyl-N'-phenylthiourea
Technical Specifications
| Molecular Formula | C13H20N2S |
| Molecular Weight | 236.13472 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.13472 Da |
| Heavy Atoms | 16 |
| Complexity | 188.0 |
| SMILES | CCCCCCNC(=S)NC1=CC=CC=C1 |
| InChIKey | WSHZXAKBZYJLTH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Hexyl-3-phenyl-2-thiourea
Property Insights of 1-Hexyl-3-phenyl-2-thiourea
The XLogP value of 3.4 indicates that 1-Hexyl-3-phenyl-2-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 1-Hexyl-3-phenyl-2-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexyl-3-phenyl-2-thiourea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Hexyl-3-phenyl-2-thiourea?
The CAS number of 1-Hexyl-3-phenyl-2-thiourea is 151530-40-4.
What is the molecular formula of 1-Hexyl-3-phenyl-2-thiourea?
The molecular formula of 1-Hexyl-3-phenyl-2-thiourea is C13H20N2S.
What is the molecular weight of 1-Hexyl-3-phenyl-2-thiourea?
The molecular weight of 1-Hexyl-3-phenyl-2-thiourea is 236.13472 g/mol.
Where can I buy 1-Hexyl-3-phenyl-2-thiourea?
You can request a quote for 1-Hexyl-3-phenyl-2-thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Hexyl-3-phenyl-2-thiourea?
Yes, CoreyChem provides custom synthesis services for 1-Hexyl-3-phenyl-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.