1,3-二硫代乙酰乙酸S-叔丁酯
TL;DR: 1,3-二硫代乙酰乙酸S-叔丁酯 (CAS 20383-06-6) is a chemical compound with molecular formula C8H14OS2 and molecular weight 190.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二硫代乙酰乙酸S-叔丁酯
S-tert-butyl 3-sulfanylidenebutanethioate
Also Known As: S-tert-butyl 3-thioxobutanethioate, S-(tert-Butyl) 3-thioxobutanethioate, 3-ThioxobutanethioicacidS-tert-butylester, S-(tert-Butyl) 3-thioxobutanethioate #, S-tert-butyl 3-sulfanylidenebutanethioate
| Molecular Formula | C8H14OS2 |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.04861 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 20383-06-6 |
|---|---|
| SMILES | CC(=S)CC(=O)SC(C)(C)C |
| InChIKey | IFSPRHUCLAPASA-UHFFFAOYSA-N |
Product Overview
1,3-二硫代乙酰乙酸S-叔丁酯 (CAS 20383-06-6), with molecular formula C8H14OS2 and molecular weight 190.05 g/mol. IUPAC: S-tert-butyl 3-sulfanylidenebutanethioate.
Chemical Property Profile of 1,3-二硫代乙酰乙酸S-叔丁酯
Property Insights of 1,3-二硫代乙酰乙酸S-叔丁酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-二硫代乙酰乙酸S-叔丁酯. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-二硫代乙酰乙酸S-叔丁酯. Following Lipinski's Rule of Five, 1,3-二硫代乙酰乙酸S-叔丁酯 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 1,3-二硫代乙酰乙酸S-叔丁酯?
The CAS number of 1,3-二硫代乙酰乙酸S-叔丁酯 is 20383-06-6.
What is the molecular formula of 1,3-二硫代乙酰乙酸S-叔丁酯?
The molecular formula of 1,3-二硫代乙酰乙酸S-叔丁酯 is C8H14OS2.
What is the molecular weight of 1,3-二硫代乙酰乙酸S-叔丁酯?
The molecular weight of 1,3-二硫代乙酰乙酸S-叔丁酯 is 190.05 g/mol.
Where can I buy 1,3-二硫代乙酰乙酸S-叔丁酯?
You can request a quote for 1,3-二硫代乙酰乙酸S-叔丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二硫代乙酰乙酸S-叔丁酯?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二硫代乙酰乙酸S-叔丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.