1-Benzyl-3-phenyl-2-thiourea
TL;DR: 1-Benzyl-3-phenyl-2-thiourea (CAS 726-25-0) is a chemical compound with molecular formula C14H14N2S and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-phenylthiourea
Also Known As: 1-Benzyl-3-phenylthiourea, 1-Benzyl-3-phenyl-2-thiourea, N-Benzyl-N'-phenylthiourea, 3-benzyl-1-phenylthiourea, Benzylthiourea aniline
| Molecular Formula | C14H14N2S |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.08777 |
| Heavy Atoms | 17 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 726-25-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2 |
| InChIKey | NXCBDDGSOXJEFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-3-phenyl-2-thiourea (CAS 726-25-0), with molecular formula C14H14N2S and molecular weight 242.09 g/mol. IUPAC: 1-benzyl-3-phenylthiourea.
Chemical Property Profile of 1-Benzyl-3-phenyl-2-thiourea
Property Insights of 1-Benzyl-3-phenyl-2-thiourea
The XLogP value of 3.0 indicates that 1-Benzyl-3-phenyl-2-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 1-Benzyl-3-phenyl-2-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-phenyl-2-thiourea 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 1-Benzyl-3-phenyl-2-thiourea?
The CAS number of 1-Benzyl-3-phenyl-2-thiourea is 726-25-0.
What is the molecular formula of 1-Benzyl-3-phenyl-2-thiourea?
The molecular formula of 1-Benzyl-3-phenyl-2-thiourea is C14H14N2S.
What is the molecular weight of 1-Benzyl-3-phenyl-2-thiourea?
The molecular weight of 1-Benzyl-3-phenyl-2-thiourea is 242.09 g/mol.
Where can I buy 1-Benzyl-3-phenyl-2-thiourea?
You can request a quote for 1-Benzyl-3-phenyl-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-Benzyl-3-phenyl-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-phenyl-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.