硫代乙酸-S-甲酯
TL;DR: 硫代乙酸-S-甲酯 (CAS 1534-08-3) is a chemical compound with molecular formula C3H6OS and molecular weight 90.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代乙酸-S-甲酯
S-methyl ethanethioate
Also Known As: S-Methyl thioacetate, Methylthioacetate, S-Methyl ethanethioate, Methyl thioacetate, Methanethiol acetate
| Molecular Formula | C3H6OS |
|---|---|
| Molecular Weight | 90.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 90.01394 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
| Boiling Point | 95.00 to 96.00 °C. @ 760.00 mm Hg |
| Density | 0.817-0.825 |
| Solubility | soluble in oil and alcohol |
| Refractive Index | 1.460-1.468 |
Chemical Identifiers
| CAS Number | 1534-08-3 |
|---|---|
| SMILES | CC(=O)SC |
| InChIKey | OATSQCXMYKYFQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代乙酸-S-甲酯 (CAS 1534-08-3), with molecular formula C3H6OS and molecular weight 90.01 g/mol. IUPAC: S-methyl ethanethioate.
Chemical Property Profile of 硫代乙酸-S-甲酯
Property Insights of 硫代乙酸-S-甲酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代乙酸-S-甲酯. With a topological polar surface area (TPSA) of 42.4 Ų, 硫代乙酸-S-甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代乙酸-S-甲酯 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 硫代乙酸-S-甲酯?
The CAS number of 硫代乙酸-S-甲酯 is 1534-08-3.
What is the molecular formula of 硫代乙酸-S-甲酯?
The molecular formula of 硫代乙酸-S-甲酯 is C3H6OS.
What is the molecular weight of 硫代乙酸-S-甲酯?
The molecular weight of 硫代乙酸-S-甲酯 is 90.01 g/mol.
Where can I buy 硫代乙酸-S-甲酯?
You can request a quote for 硫代乙酸-S-甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代乙酸-S-甲酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代乙酸-S-甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.