4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮
TL;DR: 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮 (CAS 6890-30-8) 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.
4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮
S-(5-benzoylsulfanyl-2-sulfanylidene-1,3-dithiol-4-yl) benzenecarbothioate
Also Known As: 4,5-Bis(benzoylthio)-1,3-dithiole-2-thione, ChemDiv1_028504, MixCom6_000696, TOS-BB-0356, 4,5-Dibenzoylthio-1,3-dithiole-2-thione
| Molecular Formula | C17H10O2S5 |
|---|---|
| Molecular Weight | 405.93 g/mol |
| LogP | 6.3 |
| 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 | 499.0 |
Chemical Identifiers
| CAS Number | 6890-30-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SC2=C(SC(=S)S2)SC(=O)C3=CC=CC=C3 |
| InChIKey | YQZPSSPUVUGQQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮 (CAS 6890-30-8), with molecular formula C17H10O2S5 and molecular weight 405.93 g/mol. IUPAC: S-(5-benzoylsulfanyl-2-sulfanylidene-1,3-dithiol-4-yl) benzenecarbothioate.
Chemical Property Profile of 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮
Property Insights of 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮
The XLogP value of 6.3 indicates that 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮 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 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮?
The CAS number of 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮 is 6890-30-8.
What is the molecular formula of 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮?
The molecular formula of 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮 is C17H10O2S5.
What is the molecular weight of 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮?
The molecular weight of 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮 is 405.93 g/mol.
Where can I buy 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮?
You can request a quote for 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮?
Yes, KEHONG BIO provides custom synthesis services for 4,5-二苯甲酰硫基-1,3-二硫杂环戊烯-2-硫酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.