Acetic acid, (isobutylthio)-, methyl ester
TL;DR: Acetic acid, (isobutylthio)-, methyl ester (CAS 20600-66-2) is a chemical compound with molecular formula C7H14O2S and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methylpropylsulfanyl)acetate
Also Known As: methyl 2-(isobutylthio)acetate, Methyl (isobutylsulfanyl)acetate #, (Isobutylthio)acetic acid methyl ester, Methyl ester of (Isobutylthio)acetic acid, Acetic acid, (isobutylthio)-, methyl ester
| Molecular Formula | C7H14O2S |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.07146 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 20600-66-2 |
|---|---|
| SMILES | CC(C)CSCC(=O)OC |
| InChIKey | BAYHQMUDEGIATB-UHFFFAOYSA-N |
Product Overview
Acetic acid, (isobutylthio)-, methyl ester (CAS 20600-66-2), with molecular formula C7H14O2S and molecular weight 162.07 g/mol. IUPAC: methyl 2-(2-methylpropylsulfanyl)acetate.
Chemical Property Profile of Acetic acid, (isobutylthio)-, methyl ester
Property Insights of Acetic acid, (isobutylthio)-, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (isobutylthio)-, methyl ester. With a topological polar surface area (TPSA) of 51.6 Ų, Acetic acid, (isobutylthio)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (isobutylthio)-, methyl ester 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 Acetic acid, (isobutylthio)-, methyl ester?
The CAS number of Acetic acid, (isobutylthio)-, methyl ester is 20600-66-2.
What is the molecular formula of Acetic acid, (isobutylthio)-, methyl ester?
The molecular formula of Acetic acid, (isobutylthio)-, methyl ester is C7H14O2S.
What is the molecular weight of Acetic acid, (isobutylthio)-, methyl ester?
The molecular weight of Acetic acid, (isobutylthio)-, methyl ester is 162.07 g/mol.
Where can I buy Acetic acid, (isobutylthio)-, methyl ester?
You can request a quote for Acetic acid, (isobutylthio)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (isobutylthio)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (isobutylthio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.