1,3-Bis(o-tolyl)thiourea
TL;DR: 1,3-Bis(o-tolyl)thiourea (CAS 50322-92-4) is a chemical compound with molecular formula C15H16N2S and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2-methylphenyl)thiourea
Also Known As: 1,3-Di-o-tolylthiourea, 1,3-Di(o-tolyl)thiourea, Di-o-tolylthiourea, Di-o-toluylthiourea, N,N'-Di-o-tolylthiourea
| Molecular Formula | C15H16N2S |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.10342 |
| Heavy Atoms | 18 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 50322-92-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)NC2=CC=CC=C2C |
| InChIKey | KWPNNZKRAQDVPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(o-tolyl)thiourea (CAS 50322-92-4), with molecular formula C15H16N2S and molecular weight 256.10 g/mol. IUPAC: 1,3-bis(2-methylphenyl)thiourea.
Chemical Property Profile of 1,3-Bis(o-tolyl)thiourea
Property Insights of 1,3-Bis(o-tolyl)thiourea
The XLogP value of 3.8 indicates that 1,3-Bis(o-tolyl)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, 1,3-Bis(o-tolyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(o-tolyl)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 1,3-Bis(o-tolyl)thiourea?
The CAS number of 1,3-Bis(o-tolyl)thiourea is 50322-92-4.
What is the molecular formula of 1,3-Bis(o-tolyl)thiourea?
The molecular formula of 1,3-Bis(o-tolyl)thiourea is C15H16N2S.
What is the molecular weight of 1,3-Bis(o-tolyl)thiourea?
The molecular weight of 1,3-Bis(o-tolyl)thiourea is 256.10 g/mol.
Where can I buy 1,3-Bis(o-tolyl)thiourea?
You can request a quote for 1,3-Bis(o-tolyl)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-Bis(o-tolyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(o-tolyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.