Diphenylthiourea
TL;DR: Diphenylthiourea (CAS 1212-29-9) is a chemical compound with molecular formula C13H12N2S and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diphenylthiourea
Also Known As: Thiocarbanilide, 1,3-Diphenylthiourea, Diphenylthiourea, 1,3-Diphenyl-2-thiourea, N,N'-DIPHENYLTHIOUREA
| Molecular Formula | C13H12N2S |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.07211 |
| Heavy Atoms | 16 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 1212-29-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2 |
| InChIKey | FCSHMCFRCYZTRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenylthiourea (CAS 1212-29-9), with molecular formula C13H12N2S and molecular weight 228.07 g/mol. IUPAC: 1,3-diphenylthiourea.
Chemical Property Profile of Diphenylthiourea
Property Insights of Diphenylthiourea
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diphenylthiourea. With a topological polar surface area (TPSA) of 56.2 Ų, Diphenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenylthiourea 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 Diphenylthiourea?
The CAS number of Diphenylthiourea is 1212-29-9.
What is the molecular formula of Diphenylthiourea?
The molecular formula of Diphenylthiourea is C13H12N2S.
What is the molecular weight of Diphenylthiourea?
The molecular weight of Diphenylthiourea is 228.07 g/mol.
Where can I buy Diphenylthiourea?
You can request a quote for Diphenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for Diphenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.