3-((Ethylthio)methyl)heptane
TL;DR: 3-((Ethylthio)methyl)heptane (CAS 71607-39-1) is a chemical compound with molecular formula C10H22S and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(ethylsulfanylmethyl)heptane
Also Known As: 3-((Ethylthio)methyl)heptane, 3-(ethylsulfanylmethyl)heptane, EINECS 275-680-7, 3-[(ETHYLTHIO)METHYL]HEPTANE, 3-[(Ethylsulfanyl)methyl]heptane
| Molecular Formula | C10H22S |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 3.9559 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.14423 |
| Heavy Atoms | 11 |
| Complexity | 63.27303 |
Chemical Identifiers
| CAS Number | 71607-39-1 |
|---|---|
| SMILES | CCCCC(CC)CSCC |
Product Overview
3-((Ethylthio)methyl)heptane (CAS 71607-39-1), with molecular formula C10H22S and molecular weight 174.14 g/mol. IUPAC: 3-(ethylsulfanylmethyl)heptane.
Chemical Property Profile of 3-((Ethylthio)methyl)heptane
Property Insights of 3-((Ethylthio)methyl)heptane
The XLogP value of 3.9559 indicates that 3-((Ethylthio)methyl)heptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-((Ethylthio)methyl)heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((Ethylthio)methyl)heptane 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 3-((Ethylthio)methyl)heptane?
The CAS number of 3-((Ethylthio)methyl)heptane is 71607-39-1.
What is the molecular formula of 3-((Ethylthio)methyl)heptane?
The molecular formula of 3-((Ethylthio)methyl)heptane is C10H22S.
What is the molecular weight of 3-((Ethylthio)methyl)heptane?
The molecular weight of 3-((Ethylthio)methyl)heptane is 174.14 g/mol.
Where can I buy 3-((Ethylthio)methyl)heptane?
You can request a quote for 3-((Ethylthio)methyl)heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((Ethylthio)methyl)heptane?
Yes, KEHONG BIO provides custom synthesis services for 3-((Ethylthio)methyl)heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.