苯并二硫杂环戊烯酮
TL;DR: 苯并二硫杂环戊烯酮 (CAS 1677-27-6) is a chemical compound with molecular formula C7H4OS2 and molecular weight 167.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并二硫杂环戊烯酮
1,2-benzodithiol-3-one
Also Known As: 3H-1,2-Benzodithiol-3-one, Benzodithiolone, 1,2-benzodithiol-3-one, 3H-benzo[c][1,2]dithiol-3-one, 2-DITHIOBENZOYL
| Molecular Formula | C7H4OS2 |
|---|---|
| Molecular Weight | 167.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.97035 |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 1677-27-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)SS2 |
| InChIKey | GZTYTTPPCAXUHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯并二硫杂环戊烯酮 (CAS 1677-27-6), with molecular formula C7H4OS2 and molecular weight 167.97 g/mol. IUPAC: 1,2-benzodithiol-3-one.
Chemical Property Profile of 苯并二硫杂环戊烯酮
Property Insights of 苯并二硫杂环戊烯酮
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯并二硫杂环戊烯酮. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯并二硫杂环戊烯酮. Following Lipinski's Rule of Five, 苯并二硫杂环戊烯酮 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 苯并二硫杂环戊烯酮?
The CAS number of 苯并二硫杂环戊烯酮 is 1677-27-6.
What is the molecular formula of 苯并二硫杂环戊烯酮?
The molecular formula of 苯并二硫杂环戊烯酮 is C7H4OS2.
What is the molecular weight of 苯并二硫杂环戊烯酮?
The molecular weight of 苯并二硫杂环戊烯酮 is 167.97 g/mol.
Where can I buy 苯并二硫杂环戊烯酮?
You can request a quote for 苯并二硫杂环戊烯酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并二硫杂环戊烯酮?
Yes, KEHONG BIO provides custom synthesis services for 苯并二硫杂环戊烯酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.