Methyl hydrogen trithiocarbonate
TL;DR: Methyl hydrogen trithiocarbonate (CAS 1113-26-4) is a chemical compound with molecular formula C2H4S3 and molecular weight 123.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylsulfanylmethanedithioic acid
Also Known As: Methylthioxanthic Acid, Monomethyl carbonotrithioate, methylsulfanylmethanedithioate, methyl sulfanylmethanedithioate, Methyl hydrogen trithiocarbonate
| Molecular Formula | C2H4S3 |
|---|---|
| Molecular Weight | 123.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.94752 |
| Heavy Atoms | 5 |
| Complexity | 40.0 |
Chemical Identifiers
| CAS Number | 1113-26-4 |
|---|---|
| SMILES | CSC(=S)S |
| InChIKey | IXAOZLQUOVRCEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl hydrogen trithiocarbonate (CAS 1113-26-4), with molecular formula C2H4S3 and molecular weight 123.95 g/mol. IUPAC: methylsulfanylmethanedithioic acid.
Chemical Property Profile of Methyl hydrogen trithiocarbonate
Property Insights of Methyl hydrogen trithiocarbonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl hydrogen trithiocarbonate. With a topological polar surface area (TPSA) of 58.4 Ų, Methyl hydrogen trithiocarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl hydrogen trithiocarbonate has 1 hydrogen bond donor(s) and 3 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 Methyl hydrogen trithiocarbonate?
The CAS number of Methyl hydrogen trithiocarbonate is 1113-26-4.
What is the molecular formula of Methyl hydrogen trithiocarbonate?
The molecular formula of Methyl hydrogen trithiocarbonate is C2H4S3.
What is the molecular weight of Methyl hydrogen trithiocarbonate?
The molecular weight of Methyl hydrogen trithiocarbonate is 123.95 g/mol.
Where can I buy Methyl hydrogen trithiocarbonate?
You can request a quote for Methyl hydrogen trithiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl hydrogen trithiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl hydrogen trithiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.