Thiophenoxide anion
TL;DR: Thiophenoxide anion (CAS 34012-88-9) is a chemical compound with molecular formula C6H5S- and molecular weight 109.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenethiolate
Also Known As: benzenethiolate, thiophenoxide anion, benzenethiolate,copper(1+)
| Molecular Formula | C6H5S- |
|---|---|
| Molecular Weight | 109.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.0112 |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 34012-88-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)[S-] |
| InChIKey | RMVRSNDYEFQCLF-UHFFFAOYSA-M |
Product Overview
Thiophenoxide anion (CAS 34012-88-9), with molecular formula C6H5S- and molecular weight 109.01 g/mol. IUPAC: benzenethiolate.
Chemical Property Profile of Thiophenoxide anion
Property Insights of Thiophenoxide anion
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiophenoxide anion. With a topological polar surface area (TPSA) of 1.0 Ų, Thiophenoxide anion exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophenoxide anion has 0 hydrogen bond donor(s) and 1 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 Thiophenoxide anion?
The CAS number of Thiophenoxide anion is 34012-88-9.
What is the molecular formula of Thiophenoxide anion?
The molecular formula of Thiophenoxide anion is C6H5S-.
What is the molecular weight of Thiophenoxide anion?
The molecular weight of Thiophenoxide anion is 109.01 g/mol.
Where can I buy Thiophenoxide anion?
You can request a quote for Thiophenoxide anion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophenoxide anion?
Yes, KEHONG BIO provides custom synthesis services for Thiophenoxide anion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.