S-phenyl 2,4,6-trimethylbenzenecarbothioate
TL;DR: S-phenyl 2,4,6-trimethylbenzenecarbothioate (CAS 50764-83-5) is a chemical compound with molecular formula C16H16OS and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl 2,4,6-trimethylbenzenecarbothioate
Also Known As: NCIOpen2_006726, S-phenyl 2,4,6-trimethylbenzenecarbothioate, 2,4,6-trimethyl-thiobenzoic acid S-phenyl ester, S-Phenyl 2,4,6-trimethylbenzene-1-carbothioate
| Molecular Formula | C16H16OS |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.0922 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 50764-83-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)SC2=CC=CC=C2)C |
| InChIKey | CONXDVVCZMNSPL-UHFFFAOYSA-N |
Product Overview
S-phenyl 2,4,6-trimethylbenzenecarbothioate (CAS 50764-83-5), with molecular formula C16H16OS and molecular weight 256.09 g/mol. IUPAC: S-phenyl 2,4,6-trimethylbenzenecarbothioate.
Chemical Property Profile of S-phenyl 2,4,6-trimethylbenzenecarbothioate
Property Insights of S-phenyl 2,4,6-trimethylbenzenecarbothioate
The XLogP value of 5.0 indicates that S-phenyl 2,4,6-trimethylbenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-phenyl 2,4,6-trimethylbenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl 2,4,6-trimethylbenzenecarbothioate 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 S-phenyl 2,4,6-trimethylbenzenecarbothioate?
The CAS number of S-phenyl 2,4,6-trimethylbenzenecarbothioate is 50764-83-5.
What is the molecular formula of S-phenyl 2,4,6-trimethylbenzenecarbothioate?
The molecular formula of S-phenyl 2,4,6-trimethylbenzenecarbothioate is C16H16OS.
What is the molecular weight of S-phenyl 2,4,6-trimethylbenzenecarbothioate?
The molecular weight of S-phenyl 2,4,6-trimethylbenzenecarbothioate is 256.09 g/mol.
Where can I buy S-phenyl 2,4,6-trimethylbenzenecarbothioate?
You can request a quote for S-phenyl 2,4,6-trimethylbenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl 2,4,6-trimethylbenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl 2,4,6-trimethylbenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.