Benzoylmethyl disulfide
TL;DR: Benzoylmethyl disulfide (CAS 2461-75-8) is a chemical compound with molecular formula C16H14O2S2 and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(phenacyldisulfanyl)-1-phenylethanone
Also Known As: Benzoylmethyl disulfide, Diphenacyldisulfid, Bisphenacyl persulfide, Aliphatic disulfide analog, 2,2'-Dithiobis(1-phenylethanone)
| Molecular Formula | C16H14O2S2 |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.04352 |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 2461-75-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSSCC(=O)C2=CC=CC=C2 |
| InChIKey | PTEHRJFFCZRFGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoylmethyl disulfide (CAS 2461-75-8), with molecular formula C16H14O2S2 and molecular weight 302.04 g/mol. IUPAC: 2-(phenacyldisulfanyl)-1-phenylethanone.
Chemical Property Profile of Benzoylmethyl disulfide
Property Insights of Benzoylmethyl disulfide
The XLogP value of 3.7 indicates that Benzoylmethyl disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoylmethyl disulfide. Following Lipinski's Rule of Five, Benzoylmethyl disulfide has 0 hydrogen bond donor(s) and 4 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 Benzoylmethyl disulfide?
The CAS number of Benzoylmethyl disulfide is 2461-75-8.
What is the molecular formula of Benzoylmethyl disulfide?
The molecular formula of Benzoylmethyl disulfide is C16H14O2S2.
What is the molecular weight of Benzoylmethyl disulfide?
The molecular weight of Benzoylmethyl disulfide is 302.04 g/mol.
Where can I buy Benzoylmethyl disulfide?
You can request a quote for Benzoylmethyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylmethyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzoylmethyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.