1-甲基丙基丙基二硫醚
TL;DR: 1-甲基丙基丙基二硫醚 (CAS 59849-54-6) is a chemical compound with molecular formula C7H16S2 and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基丙基丙基二硫醚
2-(propyldisulfanyl)butane
Also Known As: 2-(propyldisulfanyl)butane, Disulfide, 1-methylpropyl propyl, n-Propyl sec-butyl disulfide, sec-Butyl propyl disulfide, n-propyl s-butyl disulfide
| Molecular Formula | C7H16S2 |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.06934 |
| Heavy Atoms | 9 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 59849-54-6 |
|---|---|
| SMILES | CCCSSC(C)CC |
| InChIKey | KHTNPVYWCGRQEA-UHFFFAOYSA-N |
Product Overview
1-甲基丙基丙基二硫醚 (CAS 59849-54-6), with molecular formula C7H16S2 and molecular weight 164.07 g/mol. IUPAC: 2-(propyldisulfanyl)butane.
Chemical Property Profile of 1-甲基丙基丙基二硫醚
Property Insights of 1-甲基丙基丙基二硫醚
The XLogP value of 3.1 indicates that 1-甲基丙基丙基二硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1-甲基丙基丙基二硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基丙基丙基二硫醚 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 1-甲基丙基丙基二硫醚?
The CAS number of 1-甲基丙基丙基二硫醚 is 59849-54-6.
What is the molecular formula of 1-甲基丙基丙基二硫醚?
The molecular formula of 1-甲基丙基丙基二硫醚 is C7H16S2.
What is the molecular weight of 1-甲基丙基丙基二硫醚?
The molecular weight of 1-甲基丙基丙基二硫醚 is 164.07 g/mol.
Where can I buy 1-甲基丙基丙基二硫醚?
You can request a quote for 1-甲基丙基丙基二硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基丙基丙基二硫醚?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基丙基丙基二硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.