2-((3-Methylbutyl)thio)ethyl formate
TL;DR: 2-((3-Methylbutyl)thio)ethyl formate (CAS 83803-47-8) is a chemical compound with molecular formula C8H16O2S and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbutylsulfanyl)ethyl formate
Also Known As: 2-((3-Methylbutyl)thio)ethyl formate, EINECS 280-865-0, 2-[(3-Methylbutyl)thio]ethyl formate, 2-(3-methylbutylsulfanyl)ethyl formate, Ethanol, 2-((3-methylbutyl)thio)-, formate
| Molecular Formula | C8H16O2S |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.9387 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.0871 |
| Heavy Atoms | 11 |
| Complexity | 94.09285 |
Chemical Identifiers
| CAS Number | 83803-47-8 |
|---|---|
| SMILES | CC(C)CCSCCOC=O |
Product Overview
2-((3-Methylbutyl)thio)ethyl formate (CAS 83803-47-8), with molecular formula C8H16O2S and molecular weight 176.09 g/mol. IUPAC: 2-(3-methylbutylsulfanyl)ethyl formate.
Chemical Property Profile of 2-((3-Methylbutyl)thio)ethyl formate
Property Insights of 2-((3-Methylbutyl)thio)ethyl formate
The XLogP value of 1.9387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-Methylbutyl)thio)ethyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-((3-Methylbutyl)thio)ethyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-Methylbutyl)thio)ethyl formate has 0 hydrogen bond donor(s) and 3 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 2-((3-Methylbutyl)thio)ethyl formate?
The CAS number of 2-((3-Methylbutyl)thio)ethyl formate is 83803-47-8.
What is the molecular formula of 2-((3-Methylbutyl)thio)ethyl formate?
The molecular formula of 2-((3-Methylbutyl)thio)ethyl formate is C8H16O2S.
What is the molecular weight of 2-((3-Methylbutyl)thio)ethyl formate?
The molecular weight of 2-((3-Methylbutyl)thio)ethyl formate is 176.09 g/mol.
Where can I buy 2-((3-Methylbutyl)thio)ethyl formate?
You can request a quote for 2-((3-Methylbutyl)thio)ethyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Methylbutyl)thio)ethyl formate?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Methylbutyl)thio)ethyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.