7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one
TL;DR: 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one (CAS 69836-19-7) is a chemical compound with molecular formula C8H6N4OS and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-amino-2-thia-7,11,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),4,7,9-tetraen-6-one
Also Known As: imino[?]one, 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one, 7-amino-2H-1-thia-5,8,8b-triaza-acenaphthylen-4-one, 1-Thia-5,8,8b-triazaacenaphthylen-4(2H)-one, 5,7-dihydro-7-imino-, 10-amino-2-thia-7,11,12-triazatricyclo[6.3.1.0{4,12}]dodeca-1(11),4,7,9-tetraen-6-one
| Molecular Formula | C8H6N4OS |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.02623 |
| Heavy Atoms | 14 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 69836-19-7 |
|---|---|
| SMILES | C1C2=CC(=O)N=C3N2C(=NC(=C3)N)S1 |
| InChIKey | COAFEHXNUMUMLL-UHFFFAOYSA-N |
Product Overview
7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one (CAS 69836-19-7), with molecular formula C8H6N4OS and molecular weight 206.03 g/mol. IUPAC: 10-amino-2-thia-7,11,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),4,7,9-tetraen-6-one.
Chemical Property Profile of 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one
Property Insights of 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one
The XLogP value of -0.8 indicates that 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one. Following Lipinski's Rule of Five, 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one 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
Frequently Asked Questions
What is the CAS number of 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one?
The CAS number of 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one is 69836-19-7.
What is the molecular formula of 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one?
The molecular formula of 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one is C8H6N4OS.
What is the molecular weight of 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one?
The molecular weight of 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one is 206.03 g/mol.
Where can I buy 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one?
You can request a quote for 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Imino-5,7-dihydro-1-thia-5,8,8b-triazaacenaphthylen-4(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.