Benzene, 1,3-bis(phenylthio)-
TL;DR: Benzene, 1,3-bis(phenylthio)- (CAS 2974-10-9) is a chemical compound with molecular formula C18H14S2 and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(phenylsulfanyl)benzene
Also Known As: Benzene, 1,3-bis(phenylthio)-, 1,3-bis(phenylthio)benzene, m-bis(phenylmercapto)benzene, 1,3-bis(phenylsulfanyl)benzene, m-bis(phenylmercapto) benzene
| Molecular Formula | C18H14S2 |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.05368 |
| Heavy Atoms | 20 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 2974-10-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC(=CC=C2)SC3=CC=CC=C3 |
| InChIKey | FOXSXNJTWXVMEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,3-bis(phenylthio)- (CAS 2974-10-9), with molecular formula C18H14S2 and molecular weight 294.05 g/mol. IUPAC: 1,3-bis(phenylsulfanyl)benzene.
Chemical Property Profile of Benzene, 1,3-bis(phenylthio)-
Property Insights of Benzene, 1,3-bis(phenylthio)-
The XLogP value of 6.5 indicates that Benzene, 1,3-bis(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Benzene, 1,3-bis(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-bis(phenylthio)- 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 Benzene, 1,3-bis(phenylthio)-?
The CAS number of Benzene, 1,3-bis(phenylthio)- is 2974-10-9.
What is the molecular formula of Benzene, 1,3-bis(phenylthio)-?
The molecular formula of Benzene, 1,3-bis(phenylthio)- is C18H14S2.
What is the molecular weight of Benzene, 1,3-bis(phenylthio)-?
The molecular weight of Benzene, 1,3-bis(phenylthio)- is 294.05 g/mol.
Where can I buy Benzene, 1,3-bis(phenylthio)-?
You can request a quote for Benzene, 1,3-bis(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-bis(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-bis(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.