Acetic acid, thio-, S-isopentyl ester
TL;DR: Acetic acid, thio-, S-isopentyl ester (CAS 2432-38-4) is a chemical compound with molecular formula C7H14OS and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3-methylbutyl) ethanethioate
Also Known As: S-Isopentyl ethanethioate, 3-Methylbutyl S-thioacetate, S-Isopentyl ethanethioate #, ThioaceticacidS-isopentylester, S-3-methylbutanyl thioacetate
| Molecular Formula | C7H14OS |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.07654 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 2432-38-4 |
|---|---|
| SMILES | CC(C)CCSC(=O)C |
| InChIKey | VARHAHFDYAZIOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, thio-, S-isopentyl ester (CAS 2432-38-4), with molecular formula C7H14OS and molecular weight 146.08 g/mol. IUPAC: S-(3-methylbutyl) ethanethioate.
Chemical Property Profile of Acetic acid, thio-, S-isopentyl ester
Property Insights of Acetic acid, thio-, S-isopentyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, thio-, S-isopentyl ester. With a topological polar surface area (TPSA) of 42.4 Ų, Acetic acid, thio-, S-isopentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, thio-, S-isopentyl ester has 0 hydrogen bond donor(s) and 2 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, thio-, S-isopentyl ester?
The CAS number of Acetic acid, thio-, S-isopentyl ester is 2432-38-4.
What is the molecular formula of Acetic acid, thio-, S-isopentyl ester?
The molecular formula of Acetic acid, thio-, S-isopentyl ester is C7H14OS.
What is the molecular weight of Acetic acid, thio-, S-isopentyl ester?
The molecular weight of Acetic acid, thio-, S-isopentyl ester is 146.08 g/mol.
Where can I buy Acetic acid, thio-, S-isopentyl ester?
You can request a quote for Acetic acid, thio-, S-isopentyl 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, thio-, S-isopentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, thio-, S-isopentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.