间-(1,3-二硫杂环戊烷-2-基)苯酚
TL;DR: 间-(1,3-二硫杂环戊烷-2-基)苯酚 (CAS 32585-06-1) is a chemical compound with molecular formula C9H10OS2 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间-(1,3-二硫杂环戊烷-2-基)苯酚
3-(1,3-dithiolan-2-yl)phenol
Also Known As: 3-(1,3-dithiolan-2-yl)phenol, Phenol, m-(1,3-dithiolan-2-yl)-, starbld0032979, m-(1,3-Dithiolan-2-yl)phenol, Phenol,3-(1,3-dithiolan-2-yl)-
| Molecular Formula | C9H10OS2 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.0173 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 32585-06-1 |
|---|---|
| SMILES | C1CSC(S1)C2=CC(=CC=C2)O |
| InChIKey | VVMDOOIVBRONTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间-(1,3-二硫杂环戊烷-2-基)苯酚 (CAS 32585-06-1), with molecular formula C9H10OS2 and molecular weight 198.02 g/mol. IUPAC: 3-(1,3-dithiolan-2-yl)phenol.
Chemical Property Profile of 间-(1,3-二硫杂环戊烷-2-基)苯酚
Property Insights of 间-(1,3-二硫杂环戊烷-2-基)苯酚
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间-(1,3-二硫杂环戊烷-2-基)苯酚. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 间-(1,3-二硫杂环戊烷-2-基)苯酚. Following Lipinski's Rule of Five, 间-(1,3-二硫杂环戊烷-2-基)苯酚 has 1 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 间-(1,3-二硫杂环戊烷-2-基)苯酚?
The CAS number of 间-(1,3-二硫杂环戊烷-2-基)苯酚 is 32585-06-1.
What is the molecular formula of 间-(1,3-二硫杂环戊烷-2-基)苯酚?
The molecular formula of 间-(1,3-二硫杂环戊烷-2-基)苯酚 is C9H10OS2.
What is the molecular weight of 间-(1,3-二硫杂环戊烷-2-基)苯酚?
The molecular weight of 间-(1,3-二硫杂环戊烷-2-基)苯酚 is 198.02 g/mol.
Where can I buy 间-(1,3-二硫杂环戊烷-2-基)苯酚?
You can request a quote for 间-(1,3-二硫杂环戊烷-2-基)苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间-(1,3-二硫杂环戊烷-2-基)苯酚?
Yes, KEHONG BIO provides custom synthesis services for 间-(1,3-二硫杂环戊烷-2-基)苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.