Benzyl methyl disulfide
TL;DR: Benzyl methyl disulfide (CAS 699-10-5) is a chemical compound with molecular formula C8H10S2 and molecular weight 170.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(methyldisulfanyl)methylbenzene
Also Known As: Benzyl methyl disulfide, Methyl benzyl disulfide, Benzyldithiomethane, Benzyl methyl disulphide, Disulfide, methyl phenylmethyl
| Molecular Formula | C8H10S2 |
|---|---|
| Molecular Weight | 170.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.0224 |
| Heavy Atoms | 10 |
| Complexity | 77.0 |
| Melting Point | 61.00 to 62.00 °C. @ 760.00 mm Hg |
| Boiling Point | 195.00 to 197.00 °C. @ 760.00 mm Hg |
| Density | 0.840 (d20/4) |
| Solubility | insoluble in water |
Chemical Identifiers
| CAS Number | 699-10-5 |
|---|---|
| SMILES | CSSCC1=CC=CC=C1 |
| InChIKey | NWYGPVZOBBHKLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl methyl disulfide (CAS 699-10-5), with molecular formula C8H10S2 and molecular weight 170.02 g/mol. IUPAC: (methyldisulfanyl)methylbenzene.
Chemical Property Profile of Benzyl methyl disulfide
Property Insights of Benzyl methyl disulfide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl methyl disulfide. With a topological polar surface area (TPSA) of 50.6 Ų, Benzyl methyl disulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl methyl disulfide has 0 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 Benzyl methyl disulfide?
The CAS number of Benzyl methyl disulfide is 699-10-5.
What is the molecular formula of Benzyl methyl disulfide?
The molecular formula of Benzyl methyl disulfide is C8H10S2.
What is the molecular weight of Benzyl methyl disulfide?
The molecular weight of Benzyl methyl disulfide is 170.02 g/mol.
Where can I buy Benzyl methyl disulfide?
You can request a quote for Benzyl methyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl methyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl methyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.