1,3-Bis(4-cyanophenyl)-2-thiourea
TL;DR: 1,3-Bis(4-cyanophenyl)-2-thiourea (CAS 3460-58-0) is a chemical compound with molecular formula C15H10N4S and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(4-cyanophenyl)thiourea
Also Known As: 1,3-bis(4-cyanophenyl)thiourea, 1,3-bis(4-cyanophenyl)-2-thiourea, N,N-bis-(4-cyano-phenyl)-thiourea, 660-848-8, RefChem:413999
| Molecular Formula | C15H10N4S |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | 3.23886 |
| Topological Polar Surface Area | 71.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.06262 |
| Heavy Atoms | 20 |
| Complexity | 629.13873 |
Chemical Identifiers
| CAS Number | 3460-58-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC(=S)NC2=CC=C(C=C2)C#N |
Product Overview
1,3-Bis(4-cyanophenyl)-2-thiourea (CAS 3460-58-0), with molecular formula C15H10N4S and molecular weight 278.06 g/mol. IUPAC: 1,3-bis(4-cyanophenyl)thiourea.
Chemical Property Profile of 1,3-Bis(4-cyanophenyl)-2-thiourea
Property Insights of 1,3-Bis(4-cyanophenyl)-2-thiourea
The XLogP value of 3.23886 indicates that 1,3-Bis(4-cyanophenyl)-2-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(4-cyanophenyl)-2-thiourea. Following Lipinski's Rule of Five, 1,3-Bis(4-cyanophenyl)-2-thiourea has 2 hydrogen bond donor(s) and 3 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(4-cyanophenyl)-2-thiourea?
The CAS number of 1,3-Bis(4-cyanophenyl)-2-thiourea is 3460-58-0.
What is the molecular formula of 1,3-Bis(4-cyanophenyl)-2-thiourea?
The molecular formula of 1,3-Bis(4-cyanophenyl)-2-thiourea is C15H10N4S.
What is the molecular weight of 1,3-Bis(4-cyanophenyl)-2-thiourea?
The molecular weight of 1,3-Bis(4-cyanophenyl)-2-thiourea is 278.06 g/mol.
Where can I buy 1,3-Bis(4-cyanophenyl)-2-thiourea?
You can request a quote for 1,3-Bis(4-cyanophenyl)-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(4-cyanophenyl)-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-cyanophenyl)-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.