甲基烯丙基硫醚
TL;DR: 甲基烯丙基硫醚 (CAS 52733-51-4) is a chemical compound with molecular formula C8H14S and molecular weight 142.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基烯丙基硫醚
2-methyl-3-(2-methylprop-2-enylsulfanyl)prop-1-ene
Also Known As: Methallyl sulfide, Dimethallylsulphide, 4-bromoisatin, Dimethallyl sulfide, DIMETHALLYL SULPHIDE
| Molecular Formula | C8H14S |
|---|---|
| Molecular Weight | 142.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.08162 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 52733-51-4 |
|---|---|
| SMILES | CC(=C)CSCC(=C)C |
| InChIKey | VLDOLRVIUNSSSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基烯丙基硫醚 (CAS 52733-51-4), with molecular formula C8H14S and molecular weight 142.08 g/mol. IUPAC: 2-methyl-3-(2-methylprop-2-enylsulfanyl)prop-1-ene.
Chemical Property Profile of 甲基烯丙基硫醚
Property Insights of 甲基烯丙基硫醚
The XLogP value of 3.4 indicates that 甲基烯丙基硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 甲基烯丙基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基烯丙基硫醚 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 甲基烯丙基硫醚?
The CAS number of 甲基烯丙基硫醚 is 52733-51-4.
What is the molecular formula of 甲基烯丙基硫醚?
The molecular formula of 甲基烯丙基硫醚 is C8H14S.
What is the molecular weight of 甲基烯丙基硫醚?
The molecular weight of 甲基烯丙基硫醚 is 142.08 g/mol.
Where can I buy 甲基烯丙基硫醚?
You can request a quote for 甲基烯丙基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基烯丙基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 甲基烯丙基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.