Octylthiourea
TL;DR: Octylthiourea (CAS 13281-03-3) is a chemical compound with molecular formula C9H20N2S and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octylthiourea
Also Known As: Octylthiourea, 1-Octyl-2-thiourea, 1-octylthiourea, Thiourea, N-octyl-, N-octylthiourea
| Molecular Formula | C9H20N2S |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.1801 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.13472 |
| Heavy Atoms | 12 |
| Complexity | 115.09616 |
Chemical Identifiers
| CAS Number | 13281-03-3 |
|---|---|
| SMILES | CCCCCCCCNC(=S)N |
Product Overview
Octylthiourea (CAS 13281-03-3), with molecular formula C9H20N2S and molecular weight 188.13 g/mol. IUPAC: octylthiourea.
Chemical Property Profile of Octylthiourea
Property Insights of Octylthiourea
The XLogP value of 2.1801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octylthiourea. With a topological polar surface area (TPSA) of 38.05 Ų, Octylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 188.13 g/mol.
Where can I buy Octylthiourea?
You can request a quote for Octylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octylthiourea?
Yes, KEHONG BIO provides custom synthesis services for Octylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.