2-(间甲苯基)-1,3-二硫杂环戊烷
TL;DR: 2-(间甲苯基)-1,3-二硫杂环戊烷 (CAS 82436-18-8) is a chemical compound with molecular formula C10H12S2 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(间甲苯基)-1,3-二硫杂环戊烷
2-(3-methylphenyl)-1,3-dithiolane
Also Known As: 2-(3-methylphenyl)-1,3-dithiolane, 2-(m-Tolyl)-1,3-dithiolane, 1,3-DITHIOLANE, 2-(m-TOLYL)-, 1,3-DITHIOLANE,2- -, BRN 5507980
| Molecular Formula | C10H12S2 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.03804 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 82436-18-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2SCCS2 |
| InChIKey | PSRPFFDZQJKCIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(间甲苯基)-1,3-二硫杂环戊烷 (CAS 82436-18-8), with molecular formula C10H12S2 and molecular weight 196.04 g/mol. IUPAC: 2-(3-methylphenyl)-1,3-dithiolane.
Chemical Property Profile of 2-(间甲苯基)-1,3-二硫杂环戊烷
Property Insights of 2-(间甲苯基)-1,3-二硫杂环戊烷
The XLogP value of 3.3 indicates that 2-(间甲苯基)-1,3-二硫杂环戊烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2-(间甲苯基)-1,3-二硫杂环戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(间甲苯基)-1,3-二硫杂环戊烷 has 0 hydrogen bond donor(s) and 2 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 2-(间甲苯基)-1,3-二硫杂环戊烷?
The CAS number of 2-(间甲苯基)-1,3-二硫杂环戊烷 is 82436-18-8.
What is the molecular formula of 2-(间甲苯基)-1,3-二硫杂环戊烷?
The molecular formula of 2-(间甲苯基)-1,3-二硫杂环戊烷 is C10H12S2.
What is the molecular weight of 2-(间甲苯基)-1,3-二硫杂环戊烷?
The molecular weight of 2-(间甲苯基)-1,3-二硫杂环戊烷 is 196.04 g/mol.
Where can I buy 2-(间甲苯基)-1,3-二硫杂环戊烷?
You can request a quote for 2-(间甲苯基)-1,3-二硫杂环戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(间甲苯基)-1,3-二硫杂环戊烷?
Yes, KEHONG BIO provides custom synthesis services for 2-(间甲苯基)-1,3-二硫杂环戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.