3-Butyl-1-phenylthiourea
TL;DR: 3-Butyl-1-phenylthiourea (CAS 6336-01-2) is a chemical compound with molecular formula C11H16N2S and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-phenylthiourea
Also Known As: 1-Butyl-3-phenylthiourea, 1-Butyl-3-phenyl-2-thiourea, 3-butyl-1-phenylthiourea, N-butyl-N'-phenylthiourea, N-Butyl-phenylthiourea
| Molecular Formula | C11H16N2S |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 2.7731 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.10342 |
| Heavy Atoms | 14 |
| Complexity | 271.87582 |
Chemical Identifiers
| CAS Number | 6336-01-2 |
|---|---|
| SMILES | CCCCNC(=S)NC1=CC=CC=C1 |
Product Overview
3-Butyl-1-phenylthiourea (CAS 6336-01-2), with molecular formula C11H16N2S and molecular weight 208.10 g/mol. IUPAC: 1-butyl-3-phenylthiourea.
Chemical Property Profile of 3-Butyl-1-phenylthiourea
Property Insights of 3-Butyl-1-phenylthiourea
The XLogP value of 2.7731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-1-phenylthiourea. With a topological polar surface area (TPSA) of 24.06 Ų, 3-Butyl-1-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-1-phenylthiourea 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 3-Butyl-1-phenylthiourea?
The CAS number of 3-Butyl-1-phenylthiourea is 6336-01-2.
What is the molecular formula of 3-Butyl-1-phenylthiourea?
The molecular formula of 3-Butyl-1-phenylthiourea is C11H16N2S.
What is the molecular weight of 3-Butyl-1-phenylthiourea?
The molecular weight of 3-Butyl-1-phenylthiourea is 208.10 g/mol.
Where can I buy 3-Butyl-1-phenylthiourea?
You can request a quote for 3-Butyl-1-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-1-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-1-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.