(Methylthio)methanethiol
TL;DR: (Methylthio)methanethiol (CAS 29414-47-9) is a chemical compound with molecular formula C2H6S2 and molecular weight 93.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylsulfanylmethanethiol
Also Known As: (Methylthio)methanethiol, Methylsulfanylmethanethiol, METHYLTHIOMETHYLMERCAPTAN, methyl thiomethyl mercaptan, 1,3-dithiabutane
| Molecular Formula | C2H6S2 |
|---|---|
| Molecular Weight | 93.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 93.99109 |
| Heavy Atoms | 4 |
| Complexity | 8.0 |
| Density | 1.040-1.046 |
| Solubility | Soluble in water |
| Refractive Index | 1.552-1.556 |
Chemical Identifiers
| CAS Number | 29414-47-9 |
|---|---|
| SMILES | CSCS |
| InChIKey | IXBUFAUQDFHNGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Methylthio)methanethiol (CAS 29414-47-9), with molecular formula C2H6S2 and molecular weight 93.99 g/mol. IUPAC: methylsulfanylmethanethiol.
Chemical Property Profile of (Methylthio)methanethiol
Property Insights of (Methylthio)methanethiol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Methylthio)methanethiol. With a topological polar surface area (TPSA) of 26.3 Ų, (Methylthio)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Methylthio)methanethiol has 1 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 (Methylthio)methanethiol?
The CAS number of (Methylthio)methanethiol is 29414-47-9.
What is the molecular formula of (Methylthio)methanethiol?
The molecular formula of (Methylthio)methanethiol is C2H6S2.
What is the molecular weight of (Methylthio)methanethiol?
The molecular weight of (Methylthio)methanethiol is 93.99 g/mol.
Where can I buy (Methylthio)methanethiol?
You can request a quote for (Methylthio)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Methylthio)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (Methylthio)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.