S-(4-Fluorophenyl) benzothioate
TL;DR: S-(4-Fluorophenyl) benzothioate (CAS 2927-96-0) is a chemical compound with molecular formula C13H9FOS and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-fluorophenyl) benzenecarbothioate
Also Known As: S-(4-Fluorophenyl) benzothioate, S-(4-fluorophenyl) thiobenzoate, 4-Fluoro-1-(benzoylthio)benzene, S-(4-fluorophenyl) benzenecarbothioate, [(4-fluorophenyl)sulfanyl](phenyl)methanone
| Molecular Formula | C13H9FOS |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.03581 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 2927-96-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)F |
| InChIKey | PSPAKOZZEZNWJV-UHFFFAOYSA-N |
Product Overview
S-(4-Fluorophenyl) benzothioate (CAS 2927-96-0), with molecular formula C13H9FOS and molecular weight 232.04 g/mol. IUPAC: S-(4-fluorophenyl) benzenecarbothioate.
Chemical Property Profile of S-(4-Fluorophenyl) benzothioate
Property Insights of S-(4-Fluorophenyl) benzothioate
The XLogP value of 4.0 indicates that S-(4-Fluorophenyl) benzothioate 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-(4-Fluorophenyl) benzothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-Fluorophenyl) benzothioate 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-(4-Fluorophenyl) benzothioate?
The CAS number of S-(4-Fluorophenyl) benzothioate is 2927-96-0.
What is the molecular formula of S-(4-Fluorophenyl) benzothioate?
The molecular formula of S-(4-Fluorophenyl) benzothioate is C13H9FOS.
What is the molecular weight of S-(4-Fluorophenyl) benzothioate?
The molecular weight of S-(4-Fluorophenyl) benzothioate is 232.04 g/mol.
Where can I buy S-(4-Fluorophenyl) benzothioate?
You can request a quote for S-(4-Fluorophenyl) benzothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Fluorophenyl) benzothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Fluorophenyl) benzothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.