4,4'-Thiobiphenyl
TL;DR: 4,4'-Thiobiphenyl (CAS 6954-27-4) is a chemical compound with molecular formula C12H10S2 and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-sulfanylphenyl)benzenethiol
Also Known As: 4,4'-Biphenyldithiol, biphenyl-4,4'-dithiol, [1,1'-biphenyl]-4,4'-dithiol, 4,4'-Thiobiphenyl, 4,4'-Dimercaptobiphenyl
| Molecular Formula | C12H10S2 |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0224 |
| Heavy Atoms | 14 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 6954-27-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)S)S |
| InChIKey | VRPKUXAKHIINGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Thiobiphenyl (CAS 6954-27-4), with molecular formula C12H10S2 and molecular weight 218.02 g/mol. IUPAC: 4-(4-sulfanylphenyl)benzenethiol.
Chemical Property Profile of 4,4'-Thiobiphenyl
Property Insights of 4,4'-Thiobiphenyl
The XLogP value of 4.6 indicates that 4,4'-Thiobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 2.0 Ų, 4,4'-Thiobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Thiobiphenyl has 2 hydrogen bond donor(s) and 2 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 4,4'-Thiobiphenyl?
The CAS number of 4,4'-Thiobiphenyl is 6954-27-4.
What is the molecular formula of 4,4'-Thiobiphenyl?
The molecular formula of 4,4'-Thiobiphenyl is C12H10S2.
What is the molecular weight of 4,4'-Thiobiphenyl?
The molecular weight of 4,4'-Thiobiphenyl is 218.02 g/mol.
Where can I buy 4,4'-Thiobiphenyl?
You can request a quote for 4,4'-Thiobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Thiobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Thiobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.