3-Mercapto-3-methylbutyl formate
TL;DR: 3-Mercapto-3-methylbutyl formate (CAS 162404-32-2) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-3-sulfanylbutyl) formate
Also Known As: 3-Mercapto-3-methylbutyl formate, 3-Methyl-3-sulfanylbutyl formate, (3-methyl-3-sulfanylbutyl) formate, 3-mercapto-3-methylbutylformate, FEMA NO. 3855
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 162404-32-2 |
|---|---|
| SMILES | CC(C)(CCOC=O)S |
| InChIKey | VTAPYUYITKYXJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Mercapto-3-methylbutyl formate (CAS 162404-32-2), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: (3-methyl-3-sulfanylbutyl) formate.
Chemical Property Profile of 3-Mercapto-3-methylbutyl formate
Property Insights of 3-Mercapto-3-methylbutyl formate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercapto-3-methylbutyl formate. With a topological polar surface area (TPSA) of 27.3 Ų, 3-Mercapto-3-methylbutyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercapto-3-methylbutyl formate has 1 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 3-Mercapto-3-methylbutyl formate?
The CAS number of 3-Mercapto-3-methylbutyl formate is 162404-32-2.
What is the molecular formula of 3-Mercapto-3-methylbutyl formate?
The molecular formula of 3-Mercapto-3-methylbutyl formate is C6H12O2S.
What is the molecular weight of 3-Mercapto-3-methylbutyl formate?
The molecular weight of 3-Mercapto-3-methylbutyl formate is 148.06 g/mol.
Where can I buy 3-Mercapto-3-methylbutyl formate?
You can request a quote for 3-Mercapto-3-methylbutyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercapto-3-methylbutyl formate?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercapto-3-methylbutyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.