5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol
TL;DR: 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol (CAS 4046-70-2) is a chemical compound with molecular formula C10H8N4S and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Also Known As: 5-methyl-1,2,4-triazino[5,6-b]indole-3-thiol, 5-Methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol, ChemDiv1_019160, CN1c2ccccc2c3nnc(S)nc13, 5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
| Molecular Formula | C10H8N4S |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.04697 |
| Heavy Atoms | 15 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 4046-70-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=NNC(=S)N=C31 |
| InChIKey | RZYGCPYYIBGBCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol (CAS 4046-70-2), with molecular formula C10H8N4S and molecular weight 216.05 g/mol. IUPAC: 5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione.
Chemical Property Profile of 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol
Property Insights of 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol. Following Lipinski's Rule of Five, 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol has 1 hydrogen bond donor(s) and 2 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 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol?
The CAS number of 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol is 4046-70-2.
What is the molecular formula of 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol?
The molecular formula of 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol is C10H8N4S.
What is the molecular weight of 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol?
The molecular weight of 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol is 216.05 g/mol.
Where can I buy 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol?
You can request a quote for 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.