(3-Methylphenyl)methanethiol
TL;DR: (3-Methylphenyl)methanethiol (CAS 25697-56-7) 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.
(3-methylphenyl)methanethiol
Also Known As: (3-methylphenyl)methanethiol, 3-methylbenzylthiol, 3-METHYLBENZYL MERCAPTAN, 3-METHYLBENZYLMERCAPTAN, m-tolylmethanethiol
| Molecular Formula | C8H10S |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 2.42482 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.05032 |
| Heavy Atoms | 9 |
| Complexity | 193.51405 |
Chemical Identifiers
| CAS Number | 25697-56-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CS |
Product Overview
(3-Methylphenyl)methanethiol (CAS 25697-56-7), with molecular formula C8H10S and molecular weight 138.05 g/mol. IUPAC: (3-methylphenyl)methanethiol.
Chemical Property Profile of (3-Methylphenyl)methanethiol
Property Insights of (3-Methylphenyl)methanethiol
The XLogP value of 2.42482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methylphenyl)methanethiol. With a topological polar surface area (TPSA) of 0.0 Ų, (3-Methylphenyl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-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 (3-Methylphenyl)methanethiol?
The CAS number of (3-Methylphenyl)methanethiol is 25697-56-7.
What is the molecular formula of (3-Methylphenyl)methanethiol?
The molecular formula of (3-Methylphenyl)methanethiol is C8H10S.
What is the molecular weight of (3-Methylphenyl)methanethiol?
The molecular weight of (3-Methylphenyl)methanethiol is 138.05 g/mol.
Where can I buy (3-Methylphenyl)methanethiol?
You can request a quote for (3-Methylphenyl)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methylphenyl)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (3-Methylphenyl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.