1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione
TL;DR: 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione (CAS 116989-27-6) is a chemical compound with molecular formula C11H6N4S2 and molecular weight 258.0034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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: 6H-1,3,4-Thiadiazolo(3',2':1,2)-5-thiopyrimido(5,4-b)indole, 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione, 1,3,4-Thiadiazolo[3',2':1,2]pyrimido[5,4-b]indole-5(6H)-thione, [1,3,4]Thiadiazolo[3',2':1,2]pyrimido[5,4-b]indole-5(6H)-thione
Technical Specifications
| Molecular Formula | C11H6N4S2 |
| Molecular Weight | 258.0034 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.0034 Da |
| Heavy Atoms | 17 |
| Complexity | 433.0 |
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=S)N4C(=N3)SC=N4 |
| InChIKey | PNUOKUSRJJZAOC-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione
Property Insights of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione. 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. Following Lipinski's Rule of Five, 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione 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?
The CAS number of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione is 116989-27-6.
What is the molecular formula of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione?
The molecular formula of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione is C11H6N4S2.
What is the molecular weight of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione?
The molecular weight of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione is 258.0034 g/mol.
Where can I buy 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione?
You can request a quote for 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione 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?
Yes, CoreyChem provides custom synthesis services for 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indole-5(6H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.