六氢-1,3-苯并二硫杂环戊-2-硫酮
TL;DR: 六氢-1,3-苯并二硫杂环戊-2-硫酮 (CAS 5726-00-1) is a chemical compound with molecular formula C1CCC2C(C1)SC(=S)S2 and molecular weight 189.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氢-1,3-苯并二硫杂环戊-2-硫酮
3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole-2-thione
Also Known As: hexahydro-1,3-benzodithiole-2-thione, Hexahydro-1,3-benzodithiol-2-thione, hexahydro-2H-1,3-benzodithiole-2-thione, 4,5-Tetramethylene-1,3-dithiolanthione-2, Hexahydrobenzo[d][1,3]dithiole-2-thione
| Molecular Formula | C1CCC2C(C1)SC(=S)S2 |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.99446 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 5726-00-1 |
|---|---|
| SMILES | C1CCC2C(C1)SC(=S)S2 |
| InChIKey | FFIFYXTYVXGTRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氢-1,3-苯并二硫杂环戊-2-硫酮 (CAS 5726-00-1), with molecular formula C1CCC2C(C1)SC(=S)S2 and molecular weight 189.99 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole-2-thione.
Chemical Property Profile of 六氢-1,3-苯并二硫杂环戊-2-硫酮
Property Insights of 六氢-1,3-苯并二硫杂环戊-2-硫酮
The XLogP value of 3.3 indicates that 六氢-1,3-苯并二硫杂环戊-2-硫酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 六氢-1,3-苯并二硫杂环戊-2-硫酮. Following Lipinski's Rule of Five, 六氢-1,3-苯并二硫杂环戊-2-硫酮 has 0 hydrogen bond donor(s) and 3 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 六氢-1,3-苯并二硫杂环戊-2-硫酮?
The CAS number of 六氢-1,3-苯并二硫杂环戊-2-硫酮 is 5726-00-1.
What is the molecular formula of 六氢-1,3-苯并二硫杂环戊-2-硫酮?
The molecular formula of 六氢-1,3-苯并二硫杂环戊-2-硫酮 is C1CCC2C(C1)SC(=S)S2.
What is the molecular weight of 六氢-1,3-苯并二硫杂环戊-2-硫酮?
The molecular weight of 六氢-1,3-苯并二硫杂环戊-2-硫酮 is 189.99 g/mol.
Where can I buy 六氢-1,3-苯并二硫杂环戊-2-硫酮?
You can request a quote for 六氢-1,3-苯并二硫杂环戊-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 六氢-1,3-苯并二硫杂环戊-2-硫酮?
Yes, KEHONG BIO provides custom synthesis services for 六氢-1,3-苯并二硫杂环戊-2-硫酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.