Octylthiourea
TL;DR: Octylthiourea (CAS 13281-03-3) is a chemical compound with molecular formula C9H20N2S and molecular weight 188.13472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octylthiourea
Also Known As: Octylthiourea, 1-Octyl-2-thiourea, 1-octylthiourea, Thiourea, N-octyl-, N-octylthiourea
Technical Specifications
| Molecular Formula | C9H20N2S |
| Molecular Weight | 188.13472 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.13472 Da |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
| SMILES | CCCCCCCCNC(=S)N |
| InChIKey | QAKUNEDFMJPMGO-UHFFFAOYSA-N |
Chemical Property Profile of Octylthiourea
Property Insights of Octylthiourea
The XLogP value of 3.0 indicates that Octylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Octylthiourea. Following Lipinski's Rule of Five, Octylthiourea 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 Octylthiourea?
The CAS number of Octylthiourea is 13281-03-3.
What is the molecular formula of Octylthiourea?
The molecular formula of Octylthiourea is C9H20N2S.
What is the molecular weight of Octylthiourea?
The molecular weight of Octylthiourea is 188.13472 g/mol.
Where can I buy Octylthiourea?
You can request a quote for Octylthiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octylthiourea?
Yes, CoreyChem provides custom synthesis services for Octylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.