1-Allyl-3-benzoylthiourea
TL;DR: 1-Allyl-3-benzoylthiourea (CAS 139461-38-4) is a chemical compound with molecular formula C11H12N2OS and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(prop-2-enylcarbamothioyl)benzamide
Also Known As: 1-allyl-3-benzoylthiourea, 1-Benzoyl-3-allylthiourea, N-(prop-2-enylcarbamothioyl)benzamide, N-(prop-2-enylthiocarbamoyl)benzamide, N-[(allylamino)carbonothioyl]benzamide
| Molecular Formula | C11H12N2OS |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.4769 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.06703 |
| Heavy Atoms | 15 |
| Complexity | 362.11047 |
Chemical Identifiers
| CAS Number | 139461-38-4 |
|---|---|
| SMILES | C=CCNC(=S)NC(=O)C1=CC=CC=C1 |
Product Overview
1-Allyl-3-benzoylthiourea (CAS 139461-38-4), with molecular formula C11H12N2OS and molecular weight 220.07 g/mol. IUPAC: N-(prop-2-enylcarbamothioyl)benzamide.
Chemical Property Profile of 1-Allyl-3-benzoylthiourea
Property Insights of 1-Allyl-3-benzoylthiourea
The XLogP value of 1.4769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-3-benzoylthiourea. With a topological polar surface area (TPSA) of 41.13 Ų, 1-Allyl-3-benzoylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-3-benzoylthiourea has 2 hydrogen bond donor(s) and 2 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-Allyl-3-benzoylthiourea?
The CAS number of 1-Allyl-3-benzoylthiourea is 139461-38-4.
What is the molecular formula of 1-Allyl-3-benzoylthiourea?
The molecular formula of 1-Allyl-3-benzoylthiourea is C11H12N2OS.
What is the molecular weight of 1-Allyl-3-benzoylthiourea?
The molecular weight of 1-Allyl-3-benzoylthiourea is 220.07 g/mol.
Where can I buy 1-Allyl-3-benzoylthiourea?
You can request a quote for 1-Allyl-3-benzoylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-3-benzoylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-3-benzoylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.