Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester
TL;DR: Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester (CAS 2432-91-9) is a chemical compound with molecular formula C9H18OS and molecular weight 174.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-butan-2-yl 3-methylbutanethioate
Also Known As: sec-Butyl thioisovalerate, S-sec-Butyl thioisovalerate, S-sec-Butylthioisovalerate, S-sec-Butyl 3-methylbutanethioate, sec-Butyl 3-methylbutanethioate
| Molecular Formula | C9H18OS |
|---|---|
| Molecular Weight | 174.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.10783 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 2432-91-9 |
|---|---|
| SMILES | CCC(C)SC(=O)CC(C)C |
| InChIKey | MQAVHZCNCJTJJP-UHFFFAOYSA-N |
Product Overview
Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester (CAS 2432-91-9), with molecular formula C9H18OS and molecular weight 174.11 g/mol. IUPAC: S-butan-2-yl 3-methylbutanethioate.
Chemical Property Profile of Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester
Property Insights of Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester
The XLogP value of 3.2 indicates that Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanethioic acid, 3-methyl-, S-(1-methylpropyl) 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 Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester?
The CAS number of Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester is 2432-91-9.
What is the molecular formula of Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester?
The molecular formula of Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester is C9H18OS.
What is the molecular weight of Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester?
The molecular weight of Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester is 174.11 g/mol.
Where can I buy Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester?
You can request a quote for Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.