1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)-
TL;DR: 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)- (CAS 116989-22-1) is a chemical compound with molecular formula C12H8N4OS2 and molecular weight 288.01395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13-methylsulfanyl-14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one
Also Known As: 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)-, 2-(Methylthio)-1,3,4-thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(Methylsulfanyl)[1,3,4]thiadiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Technical Specifications
| Molecular Formula | C12H8N4OS2 |
| Molecular Weight | 288.01395 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.01395 Da |
| Heavy Atoms | 19 |
| Complexity | 492.0 |
| SMILES | CSC1=NN2C(=O)C3=C(C4=CC=CC=C4N3)N=C2S1 |
| InChIKey | APAQBCICYZCBEF-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)-
Property Insights of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)-
The XLogP value of 3.0 indicates that 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)-. Following Lipinski's Rule of Five, 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)- has 1 hydrogen bond donor(s) and 5 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)indol-5(6H)-one, 2-(methylthio)-?
The CAS number of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)- is 116989-22-1.
What is the molecular formula of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)-?
The molecular formula of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)- is C12H8N4OS2.
What is the molecular weight of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)-?
The molecular weight of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)- is 288.01395 g/mol.
Where can I buy 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)-?
You can request a quote for 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)- 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)indol-5(6H)-one, 2-(methylthio)-?
Yes, CoreyChem provides custom synthesis services for 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.