S-2-Pyridyl 4-bromobenzothioate
TL;DR: S-2-Pyridyl 4-bromobenzothioate (CAS 307930-87-6) is a chemical compound with molecular formula C12H8BrNOS and molecular weight 292.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-pyridin-2-yl 4-bromobenzenecarbothioate
Also Known As: S-(2-pyridyl) 4-bromothiobenzoate, S-2-Pyridyl 4-bromobenzothioate, S-pyridin-2-yl 4-bromobenzenecarbothioate
| Molecular Formula | C12H8BrNOS |
|---|---|
| Molecular Weight | 292.95 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.951 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 307930-87-6 |
|---|---|
| SMILES | C1=CC=NC(=C1)SC(=O)C2=CC=C(C=C2)Br |
| InChIKey | GLLCRRHULVLZEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-2-Pyridyl 4-bromobenzothioate (CAS 307930-87-6), with molecular formula C12H8BrNOS and molecular weight 292.95 g/mol. IUPAC: S-pyridin-2-yl 4-bromobenzenecarbothioate.
Chemical Property Profile of S-2-Pyridyl 4-bromobenzothioate
Property Insights of S-2-Pyridyl 4-bromobenzothioate
The XLogP value of 3.8 indicates that S-2-Pyridyl 4-bromobenzothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, S-2-Pyridyl 4-bromobenzothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-2-Pyridyl 4-bromobenzothioate 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-2-Pyridyl 4-bromobenzothioate?
The CAS number of S-2-Pyridyl 4-bromobenzothioate is 307930-87-6.
What is the molecular formula of S-2-Pyridyl 4-bromobenzothioate?
The molecular formula of S-2-Pyridyl 4-bromobenzothioate is C12H8BrNOS.
What is the molecular weight of S-2-Pyridyl 4-bromobenzothioate?
The molecular weight of S-2-Pyridyl 4-bromobenzothioate is 292.95 g/mol.
Where can I buy S-2-Pyridyl 4-bromobenzothioate?
You can request a quote for S-2-Pyridyl 4-bromobenzothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-2-Pyridyl 4-bromobenzothioate?
Yes, KEHONG BIO provides custom synthesis services for S-2-Pyridyl 4-bromobenzothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.