2-Methylbenzenethiolate
TL;DR: 2-Methylbenzenethiolate (CAS 24309-25-9) is a chemical compound with molecular formula C7H7S- and molecular weight 123.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbenzenethiolate
Also Known As: 2-methylbenzenethiolate
| Molecular Formula | C7H7S- |
|---|---|
| Molecular Weight | 123.03 g/mol |
| LogP | 1.90082 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 123.02685 |
| Heavy Atoms | 8 |
| Complexity | 160.49663 |
Chemical Identifiers
| CAS Number | 24309-25-9 |
|---|---|
| SMILES | CC1=CC=CC=C1[S-] |
Product Overview
2-Methylbenzenethiolate (CAS 24309-25-9), with molecular formula C7H7S- and molecular weight 123.03 g/mol. IUPAC: 2-methylbenzenethiolate.
Chemical Property Profile of 2-Methylbenzenethiolate
Property Insights of 2-Methylbenzenethiolate
The XLogP value of 1.90082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbenzenethiolate. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methylbenzenethiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbenzenethiolate 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 2-Methylbenzenethiolate?
The CAS number of 2-Methylbenzenethiolate is 24309-25-9.
What is the molecular formula of 2-Methylbenzenethiolate?
The molecular formula of 2-Methylbenzenethiolate is C7H7S-.
What is the molecular weight of 2-Methylbenzenethiolate?
The molecular weight of 2-Methylbenzenethiolate is 123.03 g/mol.
Where can I buy 2-Methylbenzenethiolate?
You can request a quote for 2-Methylbenzenethiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbenzenethiolate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbenzenethiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.