2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT
TL;DR: 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT (CAS 27930-82-1) is a chemical compound with molecular formula C21H31N3O4S4 and molecular weight 517.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylethanamine;3-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid
Also Known As: 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT, 3-[(2Z)-2-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid, N,N-diethylethanamine; 3-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid
| Molecular Formula | C21H31N3O4S4 |
|---|---|
| Molecular Weight | 517.12 g/mol |
| LogP | 4.274 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.11975 |
| Heavy Atoms | 32 |
| Complexity | 956.0366 |
Chemical Identifiers
| CAS Number | 27930-82-1 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/2\N(C3=CC=CC=C3S2)CCCS(=O)(=O)O)/SC1=S.CCN(CC)CC |
Product Overview
2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT (CAS 27930-82-1), with molecular formula C21H31N3O4S4 and molecular weight 517.12 g/mol. IUPAC: N,N-diethylethanamine;3-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid.
Chemical Property Profile of 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT
Property Insights of 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT
The XLogP value of 4.274 indicates that 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT. Following Lipinski's Rule of Five, 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT?
The CAS number of 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT is 27930-82-1.
What is the molecular formula of 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT?
The molecular formula of 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT is C21H31N3O4S4.
What is the molecular weight of 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT?
The molecular weight of 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT is 517.12 g/mol.
Where can I buy 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT?
You can request a quote for 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.