Ethanethioic acid, S-(1-methylethyl) ester
TL;DR: Ethanethioic acid, S-(1-methylethyl) ester (CAS 926-73-8) is a chemical compound with molecular formula CC(C)SC(=O)C and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propan-2-yl ethanethioate
Also Known As: S-Isopropyl thioacetate, Isopropyl thiolacetate, S-Isopropyl ethanethioate, S-propan-2-yl ethanethioate, Thioacetic acid S-isopropyl ester
| Molecular Formula | CC(C)SC(=O)C |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.045235 |
| Heavy Atoms | 7 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 926-73-8 |
|---|---|
| SMILES | CC(C)SC(=O)C |
| InChIKey | XBSWGFUCFLITEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanethioic acid, S-(1-methylethyl) ester (CAS 926-73-8), with molecular formula CC(C)SC(=O)C and molecular weight 118.05 g/mol. IUPAC: S-propan-2-yl ethanethioate.
Chemical Property Profile of Ethanethioic acid, S-(1-methylethyl) ester
Property Insights of Ethanethioic acid, S-(1-methylethyl) ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, S-(1-methylethyl) ester. With a topological polar surface area (TPSA) of 42.4 Ų, Ethanethioic acid, S-(1-methylethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioic acid, S-(1-methylethyl) 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 Ethanethioic acid, S-(1-methylethyl) ester?
The CAS number of Ethanethioic acid, S-(1-methylethyl) ester is 926-73-8.
What is the molecular formula of Ethanethioic acid, S-(1-methylethyl) ester?
The molecular formula of Ethanethioic acid, S-(1-methylethyl) ester is CC(C)SC(=O)C.
What is the molecular weight of Ethanethioic acid, S-(1-methylethyl) ester?
The molecular weight of Ethanethioic acid, S-(1-methylethyl) ester is 118.05 g/mol.
Where can I buy Ethanethioic acid, S-(1-methylethyl) ester?
You can request a quote for Ethanethioic acid, S-(1-methylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, S-(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, S-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.