![Acenaphtho[1,2-e][1,2,4]triazine-9-thiol structure](/static/products/6700/67004-92-6.webp)
Acenaphtho[1,2-e][1,2,4]triazine-9-thiol
TL;DR: Acenaphtho[1,2-e][1,2,4]triazine-9-thiol (CAS 67004-92-6) is a chemical compound with molecular formula C13H7N3S and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaene-13-thione
Also Known As: acenaphtho[1,2-e][1,2,4]triazine-9-thiol, 7854AE, BB 0253687, AH-357/03448036, AM-760/15238006
| Molecular Formula | C13H7N3S |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 3.33479 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.03607 |
| Heavy Atoms | 17 |
| Complexity | 815.0027 |
Chemical Identifiers
| CAS Number | 67004-92-6 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C4=NC(=S)NN=C4C3=CC=C2 |
Product Overview
Acenaphtho[1,2-e][1,2,4]triazine-9-thiol (CAS 67004-92-6), with molecular formula C13H7N3S and molecular weight 237.04 g/mol. IUPAC: 11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaene-13-thione.
Chemical Property Profile of Acenaphtho[1,2-e][1,2,4]triazine-9-thiol
Property Insights of Acenaphtho[1,2-e][1,2,4]triazine-9-thiol
The XLogP value of 3.33479 indicates that Acenaphtho[1,2-e][1,2,4]triazine-9-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, Acenaphtho[1,2-e][1,2,4]triazine-9-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acenaphtho[1,2-e][1,2,4]triazine-9-thiol has 1 hydrogen bond donor(s) and 3 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 Acenaphtho[1,2-e][1,2,4]triazine-9-thiol?
The CAS number of Acenaphtho[1,2-e][1,2,4]triazine-9-thiol is 67004-92-6.
What is the molecular formula of Acenaphtho[1,2-e][1,2,4]triazine-9-thiol?
The molecular formula of Acenaphtho[1,2-e][1,2,4]triazine-9-thiol is C13H7N3S.
What is the molecular weight of Acenaphtho[1,2-e][1,2,4]triazine-9-thiol?
The molecular weight of Acenaphtho[1,2-e][1,2,4]triazine-9-thiol is 237.04 g/mol.
Where can I buy Acenaphtho[1,2-e][1,2,4]triazine-9-thiol?
You can request a quote for Acenaphtho[1,2-e][1,2,4]triazine-9-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acenaphtho[1,2-e][1,2,4]triazine-9-thiol?
Yes, KEHONG BIO provides custom synthesis services for Acenaphtho[1,2-e][1,2,4]triazine-9-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.