1-(3-Acetylphenyl)-3-allyl-2-thiourea
TL;DR: 1-(3-Acetylphenyl)-3-allyl-2-thiourea (CAS 104509-97-9) is a chemical compound with molecular formula C12H14N2OS and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetylphenyl)-3-prop-2-enylthiourea
Also Known As: N-(3-acetyl-phenyl)-N'-allyl-thiourea, 1-(3-acetylphenyl)-3-allyl-2-thiourea, 1-(3-Acetylphenyl)-3-allylthiourea, 1-(3-acetylphenyl)-3-prop-2-enylthiourea, 1-(3-ACETYLPHENYL)-3-(PROP-2-EN-1-YL)THIOUREA
| Molecular Formula | C12H14N2OS |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 2.3616 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.08269 |
| Heavy Atoms | 16 |
| Complexity | 415.2347 |
Chemical Identifiers
| CAS Number | 104509-97-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=S)NCC=C |
Product Overview
1-(3-Acetylphenyl)-3-allyl-2-thiourea (CAS 104509-97-9), with molecular formula C12H14N2OS and molecular weight 234.08 g/mol. IUPAC: 1-(3-acetylphenyl)-3-prop-2-enylthiourea.
Chemical Property Profile of 1-(3-Acetylphenyl)-3-allyl-2-thiourea
Property Insights of 1-(3-Acetylphenyl)-3-allyl-2-thiourea
The XLogP value of 2.3616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Acetylphenyl)-3-allyl-2-thiourea. With a topological polar surface area (TPSA) of 41.13 Ų, 1-(3-Acetylphenyl)-3-allyl-2-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Acetylphenyl)-3-allyl-2-thiourea 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-(3-Acetylphenyl)-3-allyl-2-thiourea?
The CAS number of 1-(3-Acetylphenyl)-3-allyl-2-thiourea is 104509-97-9.
What is the molecular formula of 1-(3-Acetylphenyl)-3-allyl-2-thiourea?
The molecular formula of 1-(3-Acetylphenyl)-3-allyl-2-thiourea is C12H14N2OS.
What is the molecular weight of 1-(3-Acetylphenyl)-3-allyl-2-thiourea?
The molecular weight of 1-(3-Acetylphenyl)-3-allyl-2-thiourea is 234.08 g/mol.
Where can I buy 1-(3-Acetylphenyl)-3-allyl-2-thiourea?
You can request a quote for 1-(3-Acetylphenyl)-3-allyl-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Acetylphenyl)-3-allyl-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Acetylphenyl)-3-allyl-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.