Heptane, 2-(methylthio)-
TL;DR: Heptane, 2-(methylthio)- (CAS 54063-12-6) is a chemical compound with molecular formula C8H18S and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylheptane
Also Known As: Heptane, 2-(methylthio)-, Heptane,2- -, 2-methylsulfanylheptane, 2-(Methylthio)heptane, 2-(Methylsulfanyl)heptane
| Molecular Formula | C8H18S |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.11292 |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 54063-12-6 |
|---|---|
| SMILES | CCCCCC(C)SC |
| InChIKey | PXVHLVQEVACWLZ-UHFFFAOYSA-N |
Product Overview
Heptane, 2-(methylthio)- (CAS 54063-12-6), with molecular formula C8H18S and molecular weight 146.11 g/mol. IUPAC: 2-methylsulfanylheptane.
Chemical Property Profile of Heptane, 2-(methylthio)-
Property Insights of Heptane, 2-(methylthio)-
The XLogP value of 3.6 indicates that Heptane, 2-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Heptane, 2-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptane, 2-(methylthio)- 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 Heptane, 2-(methylthio)-?
The CAS number of Heptane, 2-(methylthio)- is 54063-12-6.
What is the molecular formula of Heptane, 2-(methylthio)-?
The molecular formula of Heptane, 2-(methylthio)- is C8H18S.
What is the molecular weight of Heptane, 2-(methylthio)-?
The molecular weight of Heptane, 2-(methylthio)- is 146.11 g/mol.
Where can I buy Heptane, 2-(methylthio)-?
You can request a quote for Heptane, 2-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptane, 2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Heptane, 2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.