Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)-
TL;DR: Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)- (CAS 42072-46-8) 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-(2-methylpropyl) (2S)-2-methylbutanethioate
Also Known As: Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)-, S-(2-methylpropyl) (2S)-2-methylbutanethioate, RefChem:122070
| Molecular Formula | C9H18OS |
|---|---|
| Molecular Weight | 174.11 g/mol |
| LogP | 2.9483 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.10783 |
| Heavy Atoms | 11 |
| Complexity | 120.73114 |
Chemical Identifiers
| CAS Number | 42072-46-8 |
|---|---|
| SMILES | CC[C@H](C)C(=O)SCC(C)C |
Product Overview
Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)- (CAS 42072-46-8), with molecular formula C9H18OS and molecular weight 174.11 g/mol. IUPAC: S-(2-methylpropyl) (2S)-2-methylbutanethioate.
Chemical Property Profile of Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)-
Property Insights of Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)-
The XLogP value of 2.9483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)-. With a topological polar surface area (TPSA) of 17.07 Ų, Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)- 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, 2-methyl-, S-(2-methylpropyl) ester, (S)-?
The CAS number of Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)- is 42072-46-8.
What is the molecular formula of Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)-?
The molecular formula of Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)- is C9H18OS.
What is the molecular weight of Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)-?
The molecular weight of Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)- is 174.11 g/mol.
Where can I buy Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)-?
You can request a quote for Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Butanethioic acid, 2-methyl-, S-(2-methylpropyl) ester, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.