Benzonitrile, 4,4'-thiobis-
TL;DR: Benzonitrile, 4,4'-thiobis- (CAS 46836-99-1) is a chemical compound with molecular formula C14H8N2S and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-cyanophenyl)sulfanylbenzonitrile
Also Known As: bis(4-cyanophenyl) sulfide, Benzonitrile, 4,4'-thiobis-, bis(p-cyanophenyl)sulfide, 4,4'-Dicyanodiphenyl sulfide, 4,4'-thiobis
| Molecular Formula | C14H8N2S |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.04082 |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 46836-99-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)SC2=CC=C(C=C2)C#N |
| InChIKey | AQNOYHFCRNPFGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 4,4'-thiobis- (CAS 46836-99-1), with molecular formula C14H8N2S and molecular weight 236.04 g/mol. IUPAC: 4-(4-cyanophenyl)sulfanylbenzonitrile.
Chemical Property Profile of Benzonitrile, 4,4'-thiobis-
Property Insights of Benzonitrile, 4,4'-thiobis-
The XLogP value of 3.5 indicates that Benzonitrile, 4,4'-thiobis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4,4'-thiobis-. Following Lipinski's Rule of Five, Benzonitrile, 4,4'-thiobis- has 0 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 Benzonitrile, 4,4'-thiobis-?
The CAS number of Benzonitrile, 4,4'-thiobis- is 46836-99-1.
What is the molecular formula of Benzonitrile, 4,4'-thiobis-?
The molecular formula of Benzonitrile, 4,4'-thiobis- is C14H8N2S.
What is the molecular weight of Benzonitrile, 4,4'-thiobis-?
The molecular weight of Benzonitrile, 4,4'-thiobis- is 236.04 g/mol.
Where can I buy Benzonitrile, 4,4'-thiobis-?
You can request a quote for Benzonitrile, 4,4'-thiobis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4,4'-thiobis-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4,4'-thiobis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.