(2-Sulfosulfanylacetyl)benzene
TL;DR: (2-Sulfosulfanylacetyl)benzene (CAS 6039-85-6) is a chemical compound with molecular formula C8H8O4S2 and molecular weight 231.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-sulfosulfanylacetyl)benzene
Also Known As: Phenacyl sodium thiosulfate, (2-sulfosulfanylacetyl)benzene, Phenacyl thiosulfate (*sodium salt*), S-(2-Oxo-2-phenylethyl) hydrogen thiosulfate, S-(2-Oxo-2-phenylethyl) hydrogen thiosulfate-
| Molecular Formula | C8H8O4S2 |
|---|---|
| Molecular Weight | 231.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.9864 |
| Heavy Atoms | 14 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 6039-85-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSS(=O)(=O)O |
| InChIKey | JORKJLCJZFWNCV-UHFFFAOYSA-N |
Product Overview
(2-Sulfosulfanylacetyl)benzene (CAS 6039-85-6), with molecular formula C8H8O4S2 and molecular weight 231.99 g/mol. IUPAC: (2-sulfosulfanylacetyl)benzene.
Chemical Property Profile of (2-Sulfosulfanylacetyl)benzene
Property Insights of (2-Sulfosulfanylacetyl)benzene
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Sulfosulfanylacetyl)benzene. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Sulfosulfanylacetyl)benzene. Following Lipinski's Rule of Five, (2-Sulfosulfanylacetyl)benzene has 1 hydrogen bond donor(s) and 5 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 (2-Sulfosulfanylacetyl)benzene?
The CAS number of (2-Sulfosulfanylacetyl)benzene is 6039-85-6.
What is the molecular formula of (2-Sulfosulfanylacetyl)benzene?
The molecular formula of (2-Sulfosulfanylacetyl)benzene is C8H8O4S2.
What is the molecular weight of (2-Sulfosulfanylacetyl)benzene?
The molecular weight of (2-Sulfosulfanylacetyl)benzene is 231.99 g/mol.
Where can I buy (2-Sulfosulfanylacetyl)benzene?
You can request a quote for (2-Sulfosulfanylacetyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Sulfosulfanylacetyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (2-Sulfosulfanylacetyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.