Acetic thioanhydride
TL;DR: Acetic thioanhydride (CAS 3232-39-1) is a chemical compound with molecular formula C4H6O2S and molecular weight 118.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-acetyl ethanethioate
Also Known As: Acetyl sulfide, Acetic thioanhydride, Diacetyl Sulfide, S-acetyl ethanethioate, diacetylsulfide
| Molecular Formula | C4H6O2S |
|---|---|
| Molecular Weight | 118.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.00885 |
| Heavy Atoms | 7 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 3232-39-1 |
|---|---|
| SMILES | CC(=O)SC(=O)C |
| InChIKey | DPCQJLQPDJPRCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic thioanhydride (CAS 3232-39-1), with molecular formula C4H6O2S and molecular weight 118.01 g/mol. IUPAC: S-acetyl ethanethioate.
Chemical Property Profile of Acetic thioanhydride
Property Insights of Acetic thioanhydride
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic thioanhydride. With a topological polar surface area (TPSA) of 59.4 Ų, Acetic thioanhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic thioanhydride has 0 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 thioanhydride?
The CAS number of Acetic thioanhydride is 3232-39-1.
What is the molecular formula of Acetic thioanhydride?
The molecular formula of Acetic thioanhydride is C4H6O2S.
What is the molecular weight of Acetic thioanhydride?
The molecular weight of Acetic thioanhydride is 118.01 g/mol.
Where can I buy Acetic thioanhydride?
You can request a quote for Acetic thioanhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic thioanhydride?
Yes, KEHONG BIO provides custom synthesis services for Acetic thioanhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.