S-(2-pyrrol-1-ylphenyl) benzenecarbothioate
TL;DR: S-(2-pyrrol-1-ylphenyl) benzenecarbothioate (CAS 43153-77-1) is a chemical compound with molecular formula C17H13NOS and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-pyrrol-1-ylphenyl) benzenecarbothioate
Also Known As: S-(2-pyrrol-1-ylphenyl) benzenecarbothioate, S-[2-(1H-pyrrol-1-yl)phenyl] benzenecarbothioate
| Molecular Formula | C17H13NOS |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.07178 |
| Heavy Atoms | 20 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 43153-77-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SC2=CC=CC=C2N3C=CC=C3 |
| InChIKey | CYKMARWUPZREKT-UHFFFAOYSA-N |
Product Overview
S-(2-pyrrol-1-ylphenyl) benzenecarbothioate (CAS 43153-77-1), with molecular formula C17H13NOS and molecular weight 279.07 g/mol. IUPAC: S-(2-pyrrol-1-ylphenyl) benzenecarbothioate.
Chemical Property Profile of S-(2-pyrrol-1-ylphenyl) benzenecarbothioate
Property Insights of S-(2-pyrrol-1-ylphenyl) benzenecarbothioate
The XLogP value of 4.3 indicates that S-(2-pyrrol-1-ylphenyl) benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.3 Ų, S-(2-pyrrol-1-ylphenyl) benzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-pyrrol-1-ylphenyl) benzenecarbothioate 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-(2-pyrrol-1-ylphenyl) benzenecarbothioate?
The CAS number of S-(2-pyrrol-1-ylphenyl) benzenecarbothioate is 43153-77-1.
What is the molecular formula of S-(2-pyrrol-1-ylphenyl) benzenecarbothioate?
The molecular formula of S-(2-pyrrol-1-ylphenyl) benzenecarbothioate is C17H13NOS.
What is the molecular weight of S-(2-pyrrol-1-ylphenyl) benzenecarbothioate?
The molecular weight of S-(2-pyrrol-1-ylphenyl) benzenecarbothioate is 279.07 g/mol.
Where can I buy S-(2-pyrrol-1-ylphenyl) benzenecarbothioate?
You can request a quote for S-(2-pyrrol-1-ylphenyl) benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-pyrrol-1-ylphenyl) benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-pyrrol-1-ylphenyl) benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.