2-Mercaptobenzenemethanol
TL;DR: 2-Mercaptobenzenemethanol (CAS 4521-31-7) is a chemical compound with molecular formula C7H8OS and molecular weight 140.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-sulfanylphenyl)methanol
Also Known As: 2-Mercaptobenzyl alcohol, (2-mercaptophenyl)methanol, (2-Sulfanylphenyl)methanol, o-Mercaptobenzyl alcohol, 2-Mercaptobenzylalcohol
| Molecular Formula | C7H8OS |
|---|---|
| Molecular Weight | 140.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.02959 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 4521-31-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CO)S |
| InChIKey | FYWFCRHZXORPFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercaptobenzenemethanol (CAS 4521-31-7), with molecular formula C7H8OS and molecular weight 140.03 g/mol. IUPAC: (2-sulfanylphenyl)methanol.
Chemical Property Profile of 2-Mercaptobenzenemethanol
Property Insights of 2-Mercaptobenzenemethanol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercaptobenzenemethanol. With a topological polar surface area (TPSA) of 21.2 Ų, 2-Mercaptobenzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercaptobenzenemethanol has 2 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 2-Mercaptobenzenemethanol?
The CAS number of 2-Mercaptobenzenemethanol is 4521-31-7.
What is the molecular formula of 2-Mercaptobenzenemethanol?
The molecular formula of 2-Mercaptobenzenemethanol is C7H8OS.
What is the molecular weight of 2-Mercaptobenzenemethanol?
The molecular weight of 2-Mercaptobenzenemethanol is 140.03 g/mol.
Where can I buy 2-Mercaptobenzenemethanol?
You can request a quote for 2-Mercaptobenzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptobenzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptobenzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.