N-(2-Mercaptophenyl)-N'-phenylthiourea
TL;DR: N-(2-Mercaptophenyl)-N'-phenylthiourea (CAS 55704-23-9) is a chemical compound with molecular formula C13H12N2S2 and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(2-sulfanylphenyl)thiourea
Also Known As: N-(2-Mercaptophenyl)-N'-phenylthiourea, Vortioxetine Impurity 13, 1-phenyl-3-(2-sulfanylphenyl)thiourea, 1-(2-Mercaptophenyl)-3-phenylthiourea, N-Phenyl-N'-(2-sulfanylphenyl)thiourea
| Molecular Formula | C13H12N2S2 |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 3.7842 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0442 |
| Heavy Atoms | 17 |
| Complexity | 511.83774 |
Chemical Identifiers
| CAS Number | 55704-23-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2S |
Product Overview
N-(2-Mercaptophenyl)-N'-phenylthiourea (CAS 55704-23-9), with molecular formula C13H12N2S2 and molecular weight 260.04 g/mol. IUPAC: 1-phenyl-3-(2-sulfanylphenyl)thiourea.
Chemical Property Profile of N-(2-Mercaptophenyl)-N'-phenylthiourea
Property Insights of N-(2-Mercaptophenyl)-N'-phenylthiourea
The XLogP value of 3.7842 indicates that N-(2-Mercaptophenyl)-N'-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, N-(2-Mercaptophenyl)-N'-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Mercaptophenyl)-N'-phenylthiourea has 3 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 N-(2-Mercaptophenyl)-N'-phenylthiourea?
The CAS number of N-(2-Mercaptophenyl)-N'-phenylthiourea is 55704-23-9.
What is the molecular formula of N-(2-Mercaptophenyl)-N'-phenylthiourea?
The molecular formula of N-(2-Mercaptophenyl)-N'-phenylthiourea is C13H12N2S2.
What is the molecular weight of N-(2-Mercaptophenyl)-N'-phenylthiourea?
The molecular weight of N-(2-Mercaptophenyl)-N'-phenylthiourea is 260.04 g/mol.
Where can I buy N-(2-Mercaptophenyl)-N'-phenylthiourea?
You can request a quote for N-(2-Mercaptophenyl)-N'-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Mercaptophenyl)-N'-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Mercaptophenyl)-N'-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.