2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one
TL;DR: 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one (CAS 74965-49-4) is a chemical compound with molecular formula C6H12N2O3S and molecular weight 192.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one
Also Known As: 2-tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one, 2-Tert-butyl-1lambda6,2,4-thiadiazolidine-1,1,3-trione, 2-tert-Butyl-1lambda~6~,2,4-thiadiazolidine-1,1,3-trione
| Molecular Formula | C6H12N2O3S |
|---|---|
| Molecular Weight | 192.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.05687 |
| Heavy Atoms | 12 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 74965-49-4 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)NCS1(=O)=O |
| InChIKey | FYAJSTPRTOWXTB-UHFFFAOYSA-N |
Product Overview
2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one (CAS 74965-49-4), with molecular formula C6H12N2O3S and molecular weight 192.06 g/mol. IUPAC: 2-tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one.
Chemical Property Profile of 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one
Property Insights of 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one. Following Lipinski's Rule of Five, 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one has 1 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 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one?
The CAS number of 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one is 74965-49-4.
What is the molecular formula of 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one?
The molecular formula of 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one is C6H12N2O3S.
What is the molecular weight of 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one?
The molecular weight of 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one is 192.06 g/mol.
Where can I buy 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one?
You can request a quote for 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-1,1-dioxo-1,2,4-thiadiazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.