1,1'-(Methylenebis(thio))bis(benzene)
TL;DR: 1,1'-(Methylenebis(thio))bis(benzene) (CAS 3561-67-9) is a chemical compound with molecular formula C13H12S2 and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenylsulfanylmethylsulfanylbenzene
Also Known As: Bis(phenylthio)methane, (Methylenebis(thio))bisbenzene, phenylsulfanylmethylsulfanylbenzene, Diphenylthiomethane, Bis(phenyithio)methane
| Molecular Formula | C13H12S2 |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.03804 |
| Heavy Atoms | 15 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 3561-67-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCSC2=CC=CC=C2 |
| InChIKey | ZHUPZVIALZHGGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-(Methylenebis(thio))bis(benzene) (CAS 3561-67-9), with molecular formula C13H12S2 and molecular weight 232.04 g/mol. IUPAC: phenylsulfanylmethylsulfanylbenzene.
Chemical Property Profile of 1,1'-(Methylenebis(thio))bis(benzene)
Property Insights of 1,1'-(Methylenebis(thio))bis(benzene)
The XLogP value of 5.2 indicates that 1,1'-(Methylenebis(thio))bis(benzene) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,1'-(Methylenebis(thio))bis(benzene) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(Methylenebis(thio))bis(benzene) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-(Methylenebis(thio))bis(benzene)?
The CAS number of 1,1'-(Methylenebis(thio))bis(benzene) is 3561-67-9.
What is the molecular formula of 1,1'-(Methylenebis(thio))bis(benzene)?
The molecular formula of 1,1'-(Methylenebis(thio))bis(benzene) is C13H12S2.
What is the molecular weight of 1,1'-(Methylenebis(thio))bis(benzene)?
The molecular weight of 1,1'-(Methylenebis(thio))bis(benzene) is 232.04 g/mol.
Where can I buy 1,1'-(Methylenebis(thio))bis(benzene)?
You can request a quote for 1,1'-(Methylenebis(thio))bis(benzene) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(Methylenebis(thio))bis(benzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(Methylenebis(thio))bis(benzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.