苄基甲基硫醚
TL;DR: 苄基甲基硫醚 (CAS 766-92-7) is a chemical compound with molecular formula C8H10S and molecular weight 138.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基甲基硫醚
methylsulfanylmethylbenzene
Also Known As: Benzyl methyl sulfide, Methyl benzyl sulfide, Benzyl methyl sulphide, Benzyl(methyl)sulfane, Sulfide, benzyl methyl
| Molecular Formula | C8H10S |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.05032 |
| Heavy Atoms | 9 |
| Complexity | 65.0 |
| Melting Point | -30 °C |
| Boiling Point | 196.00 to 198.00 °C. @ 760.00 mm Hg |
| Density | 1.015-1.020 |
| Solubility | slightly soluble in water; soluble in fats |
| Flash Point | 73 °C |
| Refractive Index | 1.563-1.573 |
Chemical Identifiers
| CAS Number | 766-92-7 |
|---|---|
| SMILES | CSCC1=CC=CC=C1 |
| InChIKey | OFQPKKGMNWASPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基甲基硫醚 (CAS 766-92-7), with molecular formula C8H10S and molecular weight 138.05 g/mol. IUPAC: methylsulfanylmethylbenzene.
Chemical Property Profile of 苄基甲基硫醚
Property Insights of 苄基甲基硫醚
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄基甲基硫醚. With a topological polar surface area (TPSA) of 25.3 Ų, 苄基甲基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄基甲基硫醚 has 0 hydrogen bond donor(s) and 1 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 苄基甲基硫醚?
The CAS number of 苄基甲基硫醚 is 766-92-7.
What is the molecular formula of 苄基甲基硫醚?
The molecular formula of 苄基甲基硫醚 is C8H10S.
What is the molecular weight of 苄基甲基硫醚?
The molecular weight of 苄基甲基硫醚 is 138.05 g/mol.
Where can I buy 苄基甲基硫醚?
You can request a quote for 苄基甲基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基甲基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 苄基甲基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.