p-Tolylthiourea
TL;DR: p-Tolylthiourea (CAS 1170108-38-9) is a chemical compound with molecular formula C8H10N2S and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)thiourea
Also Known As: p-Tolylthiourea, 1-(p-Tolyl)thiourea, 1-p-Tolylthiourea, 4-Methylphenylthiourea, (4-methylphenyl)thiourea
| Molecular Formula | C8H10N2S |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.05647 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 1170108-38-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)N |
| InChIKey | VXLFMCZPFIKKDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Tolylthiourea (CAS 1170108-38-9), with molecular formula C8H10N2S and molecular weight 166.06 g/mol. IUPAC: (4-methylphenyl)thiourea.
Chemical Property Profile of p-Tolylthiourea
Property Insights of p-Tolylthiourea
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Tolylthiourea. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Tolylthiourea. Following Lipinski's Rule of Five, p-Tolylthiourea 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 p-Tolylthiourea?
The CAS number of p-Tolylthiourea is 1170108-38-9.
What is the molecular formula of p-Tolylthiourea?
The molecular formula of p-Tolylthiourea is C8H10N2S.
What is the molecular weight of p-Tolylthiourea?
The molecular weight of p-Tolylthiourea is 166.06 g/mol.
Where can I buy p-Tolylthiourea?
You can request a quote for p-Tolylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tolylthiourea?
Yes, KEHONG BIO provides custom synthesis services for p-Tolylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.