Trimethylthioacetic S-acid
TL;DR: Trimethylthioacetic S-acid (CAS 55561-02-9) is a chemical compound with molecular formula C5H10OS and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropanethioic S-acid
Also Known As: Thiopivalic acid, Trimethylthioacetic S-acid, 2,2-dimethylpropanethioic S-acid, thiopivaloic acid, dimethylthio-propanoic acid
| Molecular Formula | C5H10OS |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.045235 |
| Heavy Atoms | 7 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 55561-02-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)S |
| InChIKey | JHSXHKMJBWOMRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylthioacetic S-acid (CAS 55561-02-9), with molecular formula C5H10OS and molecular weight 118.05 g/mol. IUPAC: 2,2-dimethylpropanethioic S-acid.
Chemical Property Profile of Trimethylthioacetic S-acid
Property Insights of Trimethylthioacetic S-acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylthioacetic S-acid. With a topological polar surface area (TPSA) of 18.1 Ų, Trimethylthioacetic S-acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylthioacetic S-acid has 1 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 Trimethylthioacetic S-acid?
The CAS number of Trimethylthioacetic S-acid is 55561-02-9.
What is the molecular formula of Trimethylthioacetic S-acid?
The molecular formula of Trimethylthioacetic S-acid is C5H10OS.
What is the molecular weight of Trimethylthioacetic S-acid?
The molecular weight of Trimethylthioacetic S-acid is 118.05 g/mol.
Where can I buy Trimethylthioacetic S-acid?
You can request a quote for Trimethylthioacetic S-acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylthioacetic S-acid?
Yes, KEHONG BIO provides custom synthesis services for Trimethylthioacetic S-acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.