1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl-
TL;DR: 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl- (CAS 116989-28-7) is a chemical compound with molecular formula C13H10N4S2 and molecular weight 286.0347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13-ethyl-14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaene-10-thione
Also Known As: 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl-, 2-Ethyl-6H-1,3,4-thiadiazolo(3',2':1,2)-5-thiopyrimido(5,4-b)indole, 2-Ethyl-1,3,4-thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5-(6H)-thione, 2-Ethyl[1,3,4]thiadiazolo[3',2':1,2]pyrimido[5,4-b]indole-5(6H)-thione
Technical Specifications
| Molecular Formula | C13H10N4S2 |
| Molecular Weight | 286.0347 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.0347 Da |
| Heavy Atoms | 19 |
| Complexity | 487.0 |
| SMILES | CCC1=NN2C(=S)C3=C(C4=CC=CC=C4N3)N=C2S1 |
| InChIKey | MPLTWYHQIPZIFP-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl-
Property Insights of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl-
The XLogP value of 3.2 indicates that 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl-. Following Lipinski's Rule of Five, 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl-?
The CAS number of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl- is 116989-28-7.
What is the molecular formula of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl-?
The molecular formula of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl- is C13H10N4S2.
What is the molecular weight of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl-?
The molecular weight of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl- is 286.0347 g/mol.
Where can I buy 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl-?
You can request a quote for 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl-?
Yes, CoreyChem provides custom synthesis services for 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.