Benzyloxymethanedithioic acid
TL;DR: Benzyloxymethanedithioic acid (CAS 6790-95-0) is a chemical compound with molecular formula C8H8OS2 and molecular weight 184.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenylmethoxymethanedithioic acid
Also Known As: benzyl xanthate, benzyl sulfanylmethanethioate, benzyloxymethanedithioic acid, dithiocarbonic acid O-benzyl ester, phenylmethoxymethanedithioic acid
| Molecular Formula | C8H8OS2 |
|---|---|
| Molecular Weight | 184.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.00166 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 6790-95-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=S)S |
| InChIKey | WIKDURKPSJEWGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyloxymethanedithioic acid (CAS 6790-95-0), with molecular formula C8H8OS2 and molecular weight 184.00 g/mol. IUPAC: phenylmethoxymethanedithioic acid.
Chemical Property Profile of Benzyloxymethanedithioic acid
Property Insights of Benzyloxymethanedithioic acid
The XLogP value of 3.1 indicates that Benzyloxymethanedithioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, Benzyloxymethanedithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyloxymethanedithioic acid 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 Benzyloxymethanedithioic acid?
The CAS number of Benzyloxymethanedithioic acid is 6790-95-0.
What is the molecular formula of Benzyloxymethanedithioic acid?
The molecular formula of Benzyloxymethanedithioic acid is C8H8OS2.
What is the molecular weight of Benzyloxymethanedithioic acid?
The molecular weight of Benzyloxymethanedithioic acid is 184.00 g/mol.
Where can I buy Benzyloxymethanedithioic acid?
You can request a quote for Benzyloxymethanedithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyloxymethanedithioic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzyloxymethanedithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.