S-Ethyl 3-thioxobutanethioate
TL;DR: S-Ethyl 3-thioxobutanethioate (CAS 20383-01-1) is a chemical compound with molecular formula C6H10OS2 and molecular weight 162.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 3-sulfanylidenebutanethioate
Also Known As: S-Ethyl 3-thioxobutanethioate, S-Ethyl 3-thioxobutanethioate #, S-ethyl 3-sulfanylidenebutanethioate, 3-Thioxobutanethioic acid S-ethyl ester, beta-Mercapto-thiocrotonsaeure-S-ethylester
| Molecular Formula | C6H10OS2 |
|---|---|
| Molecular Weight | 162.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.0173 |
| Heavy Atoms | 9 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 20383-01-1 |
|---|---|
| SMILES | CCSC(=O)CC(=S)C |
| InChIKey | BNZRVSNUTPEFCK-UHFFFAOYSA-N |
Product Overview
S-Ethyl 3-thioxobutanethioate (CAS 20383-01-1), with molecular formula C6H10OS2 and molecular weight 162.02 g/mol. IUPAC: S-ethyl 3-sulfanylidenebutanethioate.
Chemical Property Profile of S-Ethyl 3-thioxobutanethioate
Property Insights of S-Ethyl 3-thioxobutanethioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Ethyl 3-thioxobutanethioate. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Ethyl 3-thioxobutanethioate. Following Lipinski's Rule of Five, S-Ethyl 3-thioxobutanethioate 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 S-Ethyl 3-thioxobutanethioate?
The CAS number of S-Ethyl 3-thioxobutanethioate is 20383-01-1.
What is the molecular formula of S-Ethyl 3-thioxobutanethioate?
The molecular formula of S-Ethyl 3-thioxobutanethioate is C6H10OS2.
What is the molecular weight of S-Ethyl 3-thioxobutanethioate?
The molecular weight of S-Ethyl 3-thioxobutanethioate is 162.02 g/mol.
Where can I buy S-Ethyl 3-thioxobutanethioate?
You can request a quote for S-Ethyl 3-thioxobutanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl 3-thioxobutanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl 3-thioxobutanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.