5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide
TL;DR: 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide (CAS 477859-10-2) is a chemical compound with molecular formula C12H12N4S and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-indol-3-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide, 5-[(1H-indol-3-yl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol, 3-(1H-indol-3-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione, 3-[(1H-indol-3-yl)methyl]-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
| Molecular Formula | C12H12N4S |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.54979 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.07826 |
| Heavy Atoms | 17 |
| Complexity | 719.2631 |
Chemical Identifiers
| CAS Number | 477859-10-2 |
|---|---|
| SMILES | CN1C(=NNC1=S)CC2=CNC3=CC=CC=C32 |
Product Overview
5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide (CAS 477859-10-2), with molecular formula C12H12N4S and molecular weight 244.08 g/mol. IUPAC: 3-(1H-indol-3-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide
Property Insights of 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide
The XLogP value of 2.54979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide. With a topological polar surface area (TPSA) of 49.4 Ų, 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide has 2 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-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide?
The CAS number of 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide is 477859-10-2.
What is the molecular formula of 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide?
The molecular formula of 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide is C12H12N4S.
What is the molecular weight of 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide?
The molecular weight of 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide is 244.08 g/mol.
Where can I buy 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide?
You can request a quote for 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-(1H-indol-3-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.