![[3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol structure](/static/products/4208/42082-63-3.webp)
[3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol
TL;DR: [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol (CAS 42082-63-3) is a chemical compound with molecular formula C9H12S2 and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-5-(sulfanylmethyl)phenyl]methanethiol
Also Known As: [3-methyl-5-(sulfanylmethyl)phenyl]methanethiol|1,3-Benzenedimethanethiol, 5-methyl-|1,3-Benzenedimethanethiol,5-methyl|5-methyl-1,3-benzenedimethanethiol|(5-Methyl-1,3-phenylene)dimethanethiol|3-(mercaptomethyl)-5-methylbenzyl hydrosulfide
| Molecular Formula | C9H12S2 |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 2.85462 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.03804 |
| Heavy Atoms | 11 |
| Complexity | 221.06808 |
Chemical Identifiers
| CAS Number | 42082-63-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)CS)CS |
Product Overview
[3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol (CAS 42082-63-3), with molecular formula C9H12S2 and molecular weight 184.04 g/mol. IUPAC: [3-methyl-5-(sulfanylmethyl)phenyl]methanethiol.
Chemical Property Profile of [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol
Property Insights of [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol
The XLogP value of 2.85462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol. With a topological polar surface area (TPSA) of 0.0 Ų, [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol 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 [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol?
The CAS number of [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol is 42082-63-3.
What is the molecular formula of [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol?
The molecular formula of [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol is C9H12S2.
What is the molecular weight of [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol?
The molecular weight of [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol is 184.04 g/mol.
Where can I buy [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol?
You can request a quote for [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol?
Yes, KEHONG BIO provides custom synthesis services for [3-Methyl-5-(sulfanylmethyl)phenyl]methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.