(2-Methylphenyl)methanethiol
TL;DR: (2-Methylphenyl)methanethiol (CAS 7400-14-8) is a chemical compound with molecular formula C8H10S and molecular weight 138.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl)methanethiol
Also Known As: 2-Methylbenzyl mercaptan, (2-methylphenyl)methanethiol, 2-Methylbenzylmercaptan, o-tolylmethanethiol, o-tolyl-methanethiol
| Molecular Formula | C8H10S |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.05032 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 7400-14-8 |
|---|---|
| SMILES | CC1=CC=CC=C1CS |
| InChIKey | PJUDFYDAJBQPEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Methylphenyl)methanethiol (CAS 7400-14-8), with molecular formula C8H10S and molecular weight 138.05 g/mol. IUPAC: (2-methylphenyl)methanethiol.
Chemical Property Profile of (2-Methylphenyl)methanethiol
Property Insights of (2-Methylphenyl)methanethiol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methylphenyl)methanethiol. With a topological polar surface area (TPSA) of 1.0 Ų, (2-Methylphenyl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylphenyl)methanethiol has 1 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-Methylphenyl)methanethiol?
The CAS number of (2-Methylphenyl)methanethiol is 7400-14-8.
What is the molecular formula of (2-Methylphenyl)methanethiol?
The molecular formula of (2-Methylphenyl)methanethiol is C8H10S.
What is the molecular weight of (2-Methylphenyl)methanethiol?
The molecular weight of (2-Methylphenyl)methanethiol is 138.05 g/mol.
Where can I buy (2-Methylphenyl)methanethiol?
You can request a quote for (2-Methylphenyl)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methylphenyl)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylphenyl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.