2,3-Diphenylthiirane
TL;DR: 2,3-Diphenylthiirane (CAS 58168-11-9) is a chemical compound with molecular formula C14H12S and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diphenylthiirane
Also Known As: 2,3-diphenylthiirane, Stilbensulfid, trans-stilbene episulfide, Thiirane,2,3-diphenyl-, (2R,3R)-rel-, Thiirane,2,3-diphenyl-,(2R,3R)-rel-
| Molecular Formula | C14H12S |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.06598 |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 58168-11-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(S2)C3=CC=CC=C3 |
| InChIKey | YZGUWUYYNVDKDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Diphenylthiirane (CAS 58168-11-9), with molecular formula C14H12S and molecular weight 212.07 g/mol. IUPAC: 2,3-diphenylthiirane.
Chemical Property Profile of 2,3-Diphenylthiirane
Property Insights of 2,3-Diphenylthiirane
The XLogP value of 3.7 indicates that 2,3-Diphenylthiirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2,3-Diphenylthiirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Diphenylthiirane has 0 hydrogen bond donor(s) and 1 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 2,3-Diphenylthiirane?
The CAS number of 2,3-Diphenylthiirane is 58168-11-9.
What is the molecular formula of 2,3-Diphenylthiirane?
The molecular formula of 2,3-Diphenylthiirane is C14H12S.
What is the molecular weight of 2,3-Diphenylthiirane?
The molecular weight of 2,3-Diphenylthiirane is 212.07 g/mol.
Where can I buy 2,3-Diphenylthiirane?
You can request a quote for 2,3-Diphenylthiirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diphenylthiirane?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diphenylthiirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.