4,4'-Bis(mercaptomethyl)biphenyl
TL;DR: 4,4'-Bis(mercaptomethyl)biphenyl (CAS 43012-19-7) is a chemical compound with molecular formula C14H14S2 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(sulfanylmethyl)phenyl]phenyl]methanethiol
Also Known As: 4,4'-bis(mercaptomethyl)biphenyl, [1,1'-Biphenyl]-4,4'-diyldimethanethiol, [4-[4-(sulfanylmethyl)phenyl]phenyl]methanethiol, 1, 4,4'bis(thiomethyl)-, 4,4'-Bis(bromomethyl)biphenyl
| Molecular Formula | C14H14S2 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.0537 |
| Heavy Atoms | 16 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 43012-19-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CS)C2=CC=C(C=C2)CS |
| InChIKey | XFHIDPOTWOFDEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Bis(mercaptomethyl)biphenyl (CAS 43012-19-7), with molecular formula C14H14S2 and molecular weight 246.05 g/mol. IUPAC: [4-[4-(sulfanylmethyl)phenyl]phenyl]methanethiol.
Chemical Property Profile of 4,4'-Bis(mercaptomethyl)biphenyl
Property Insights of 4,4'-Bis(mercaptomethyl)biphenyl
The XLogP value of 4.5 indicates that 4,4'-Bis(mercaptomethyl)biphenyl 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'-Bis(mercaptomethyl)biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Bis(mercaptomethyl)biphenyl 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'-Bis(mercaptomethyl)biphenyl?
The CAS number of 4,4'-Bis(mercaptomethyl)biphenyl is 43012-19-7.
What is the molecular formula of 4,4'-Bis(mercaptomethyl)biphenyl?
The molecular formula of 4,4'-Bis(mercaptomethyl)biphenyl is C14H14S2.
What is the molecular weight of 4,4'-Bis(mercaptomethyl)biphenyl?
The molecular weight of 4,4'-Bis(mercaptomethyl)biphenyl is 246.05 g/mol.
Where can I buy 4,4'-Bis(mercaptomethyl)biphenyl?
You can request a quote for 4,4'-Bis(mercaptomethyl)biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Bis(mercaptomethyl)biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Bis(mercaptomethyl)biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.