Ethyl thioformate
TL;DR: Ethyl thioformate (CAS 21071-39-6) 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.
S-ethyl methanethioate
Also Known As: Ethyl thioformate, S-ethyl methanethioate, ethylthiomethon, ethylsulfanylformaldehyde, (ethylsulfanyl)carbaldehyde
| Molecular Formula | C3H6OS |
|---|---|
| Molecular Weight | 90.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 90.01394 |
| Heavy Atoms | 5 |
| Complexity | 28.0 |
Chemical Identifiers
| CAS Number | 21071-39-6 |
|---|---|
| SMILES | CCSC=O |
| InChIKey | STSBSFZTOFGGKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl thioformate (CAS 21071-39-6), with molecular formula C3H6OS and molecular weight 90.01 g/mol. IUPAC: S-ethyl methanethioate.
Chemical Property Profile of Ethyl thioformate
Property Insights of Ethyl thioformate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl thioformate. With a topological polar surface area (TPSA) of 42.4 Ų, Ethyl thioformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl thioformate 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 Ethyl thioformate?
The CAS number of Ethyl thioformate is 21071-39-6.
What is the molecular formula of Ethyl thioformate?
The molecular formula of Ethyl thioformate is C3H6OS.
What is the molecular weight of Ethyl thioformate?
The molecular weight of Ethyl thioformate is 90.01 g/mol.
Where can I buy Ethyl thioformate?
You can request a quote for Ethyl thioformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl thioformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl thioformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.