Acetic acid, 2-mercapto-, isodecyl ester
TL;DR: Acetic acid, 2-mercapto-, isodecyl ester (CAS 68845-30-7) is a chemical compound with molecular formula C12H24O2S and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methylnonyl 2-sulfanylacetate
Also Known As: Isodecyl thioglycolate, Isodecyl mercaptoacetate, 8-methylnonyl sulfanylacetate, Acetic acid, mercapto-, isodecyl ester, 8-methylnonyl 2-sulfanylacetate
| Molecular Formula | C12H24O2S |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 232.1497 |
| Heavy Atoms | 15 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 68845-30-7 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)CS |
| InChIKey | CBXRMWPHQZKUQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-mercapto-, isodecyl ester (CAS 68845-30-7), with molecular formula C12H24O2S and molecular weight 232.15 g/mol. IUPAC: 8-methylnonyl 2-sulfanylacetate.
Chemical Property Profile of Acetic acid, 2-mercapto-, isodecyl ester
Property Insights of Acetic acid, 2-mercapto-, isodecyl ester
The XLogP value of 4.6 indicates that Acetic acid, 2-mercapto-, isodecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, Acetic acid, 2-mercapto-, isodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-mercapto-, isodecyl ester 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 Acetic acid, 2-mercapto-, isodecyl ester?
The CAS number of Acetic acid, 2-mercapto-, isodecyl ester is 68845-30-7.
What is the molecular formula of Acetic acid, 2-mercapto-, isodecyl ester?
The molecular formula of Acetic acid, 2-mercapto-, isodecyl ester is C12H24O2S.
What is the molecular weight of Acetic acid, 2-mercapto-, isodecyl ester?
The molecular weight of Acetic acid, 2-mercapto-, isodecyl ester is 232.15 g/mol.
Where can I buy Acetic acid, 2-mercapto-, isodecyl ester?
You can request a quote for Acetic acid, 2-mercapto-, isodecyl 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, 2-mercapto-, isodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-mercapto-, isodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.