4-甲基-2-苯基-1,3-二硫戊环
TL;DR: 4-甲基-2-苯基-1,3-二硫戊环 (CAS 5616-53-5) 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.
4-甲基-2-苯基-1,3-二硫戊环
4-methyl-2-phenyl-1,3-dithiolane
Also Known As: 4-Methyl-2-phenyl-1,3-dithiolane, 1,3-DITHIOLANE, 4-METHYL-2-PHENYL-, 1,3-DITHIOLANE,4-METHYL-2-PHENYL, BRN 5508179, RefChem:219203
| Molecular Formula | C10H12S2 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 3.4 |
| 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 | 5616-53-5 |
|---|---|
| SMILES | CC1CSC(S1)C2=CC=CC=C2 |
| InChIKey | XVRIROCKGOEPAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-2-苯基-1,3-二硫戊环 (CAS 5616-53-5), with molecular formula C10H12S2 and molecular weight 196.04 g/mol. IUPAC: 4-methyl-2-phenyl-1,3-dithiolane.
Chemical Property Profile of 4-甲基-2-苯基-1,3-二硫戊环
Property Insights of 4-甲基-2-苯基-1,3-二硫戊环
The XLogP value of 3.4 indicates that 4-甲基-2-苯基-1,3-二硫戊环 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 4-甲基-2-苯基-1,3-二硫戊环 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-2-苯基-1,3-二硫戊环 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 4-甲基-2-苯基-1,3-二硫戊环?
The CAS number of 4-甲基-2-苯基-1,3-二硫戊环 is 5616-53-5.
What is the molecular formula of 4-甲基-2-苯基-1,3-二硫戊环?
The molecular formula of 4-甲基-2-苯基-1,3-二硫戊环 is C10H12S2.
What is the molecular weight of 4-甲基-2-苯基-1,3-二硫戊环?
The molecular weight of 4-甲基-2-苯基-1,3-二硫戊环 is 196.04 g/mol.
Where can I buy 4-甲基-2-苯基-1,3-二硫戊环?
You can request a quote for 4-甲基-2-苯基-1,3-二硫戊环 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-2-苯基-1,3-二硫戊环?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-2-苯基-1,3-二硫戊环 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.