4,5-Bis(benzoylthio)-1,2-dithiole-3-thione
TL;DR: 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione (CAS 82504-65-2) is a chemical compound with molecular formula C17H10O2S5 and molecular weight 405.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3-benzoylsulfanyl-5-sulfanylidenedithiol-4-yl) benzenecarbothioate
Also Known As: 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione, S-(3-benzoylsulfanyl-5-sulfanylidenedithiol-4-yl) benzenecarbothioate, 4,5-BIS(BENZOYLTHIO)-1,2-DITHIOL-3-THIONE, 4,5-bis-(Benzoylthio)-1,2-dithiol-3-thione, 3,4-Bis(benzoylthio)-5H-1,2-dithiole-5-thione
| Molecular Formula | C17H10O2S5 |
|---|---|
| Molecular Weight | 405.93 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.92844 |
| Heavy Atoms | 24 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 82504-65-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SC2=C(SSC2=S)SC(=O)C3=CC=CC=C3 |
| InChIKey | ACVFKHLFCLEUPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Bis(benzoylthio)-1,2-dithiole-3-thione (CAS 82504-65-2), with molecular formula C17H10O2S5 and molecular weight 405.93 g/mol. IUPAC: S-(3-benzoylsulfanyl-5-sulfanylidenedithiol-4-yl) benzenecarbothioate.
Chemical Property Profile of 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione
Property Insights of 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione
The XLogP value of 5.5 indicates that 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione?
The CAS number of 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione is 82504-65-2.
What is the molecular formula of 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione?
The molecular formula of 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione is C17H10O2S5.
What is the molecular weight of 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione?
The molecular weight of 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione is 405.93 g/mol.
Where can I buy 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione?
You can request a quote for 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(benzoylthio)-1,2-dithiole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.