S-phenyl 3,3-diphenyloxirane-2-carbothioate
TL;DR: S-phenyl 3,3-diphenyloxirane-2-carbothioate (CAS 54934-22-4) is a chemical compound with molecular formula C21H16O2S and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl 3,3-diphenyloxirane-2-carbothioate
Also Known As: S-phenyl 3,3-diphenyloxirane-2-carbothioate
| Molecular Formula | C21H16O2S |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.0871 |
| Heavy Atoms | 24 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 54934-22-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C(O2)C(=O)SC3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | MVYLVEGDWGHKPF-UHFFFAOYSA-N |
Product Overview
S-phenyl 3,3-diphenyloxirane-2-carbothioate (CAS 54934-22-4), with molecular formula C21H16O2S and molecular weight 332.09 g/mol. IUPAC: S-phenyl 3,3-diphenyloxirane-2-carbothioate.
Chemical Property Profile of S-phenyl 3,3-diphenyloxirane-2-carbothioate
Property Insights of S-phenyl 3,3-diphenyloxirane-2-carbothioate
The XLogP value of 4.9 indicates that S-phenyl 3,3-diphenyloxirane-2-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.9 Ų, S-phenyl 3,3-diphenyloxirane-2-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl 3,3-diphenyloxirane-2-carbothioate 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 S-phenyl 3,3-diphenyloxirane-2-carbothioate?
The CAS number of S-phenyl 3,3-diphenyloxirane-2-carbothioate is 54934-22-4.
What is the molecular formula of S-phenyl 3,3-diphenyloxirane-2-carbothioate?
The molecular formula of S-phenyl 3,3-diphenyloxirane-2-carbothioate is C21H16O2S.
What is the molecular weight of S-phenyl 3,3-diphenyloxirane-2-carbothioate?
The molecular weight of S-phenyl 3,3-diphenyloxirane-2-carbothioate is 332.09 g/mol.
Where can I buy S-phenyl 3,3-diphenyloxirane-2-carbothioate?
You can request a quote for S-phenyl 3,3-diphenyloxirane-2-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl 3,3-diphenyloxirane-2-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl 3,3-diphenyloxirane-2-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.