S-butyl 2-hydroxy-2-phenylethanethioate
TL;DR: S-butyl 2-hydroxy-2-phenylethanethioate (CAS 63860-13-9) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-butyl 2-hydroxy-2-phenylethanethioate
Also Known As: S-butyl 2-hydroxy-2-phenylethanethioate, S-Butyl hydroxy(phenyl)ethanethioate, Benzeneethanethioic acid, alpha-hydroxy-, S-butyl ester
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 63860-13-9 |
|---|---|
| SMILES | CCCCSC(=O)C(C1=CC=CC=C1)O |
| InChIKey | OQYRZKXZWXMUCB-UHFFFAOYSA-N |
Product Overview
S-butyl 2-hydroxy-2-phenylethanethioate (CAS 63860-13-9), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: S-butyl 2-hydroxy-2-phenylethanethioate.
Chemical Property Profile of S-butyl 2-hydroxy-2-phenylethanethioate
Property Insights of S-butyl 2-hydroxy-2-phenylethanethioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-butyl 2-hydroxy-2-phenylethanethioate. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-butyl 2-hydroxy-2-phenylethanethioate. Following Lipinski's Rule of Five, S-butyl 2-hydroxy-2-phenylethanethioate has 1 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-butyl 2-hydroxy-2-phenylethanethioate?
The CAS number of S-butyl 2-hydroxy-2-phenylethanethioate is 63860-13-9.
What is the molecular formula of S-butyl 2-hydroxy-2-phenylethanethioate?
The molecular formula of S-butyl 2-hydroxy-2-phenylethanethioate is C12H16O2S.
What is the molecular weight of S-butyl 2-hydroxy-2-phenylethanethioate?
The molecular weight of S-butyl 2-hydroxy-2-phenylethanethioate is 224.09 g/mol.
Where can I buy S-butyl 2-hydroxy-2-phenylethanethioate?
You can request a quote for S-butyl 2-hydroxy-2-phenylethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-butyl 2-hydroxy-2-phenylethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-butyl 2-hydroxy-2-phenylethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.