![4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione structure](/static/products/3352/335206-60-5.webp)
4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
TL;DR: 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione (CAS 335206-60-5) is a chemical compound with molecular formula C18H15N3O2S and molecular weight 337.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
Also Known As: BAS 02518792, 4-(3-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione, 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione, 4-(3-Nitro-phenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione, 4-{3-nitrophenyl}-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
| Molecular Formula | C18H15N3O2S |
|---|---|
| Molecular Weight | 337.09 g/mol |
| LogP | 3.4711 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.0885 |
| Heavy Atoms | 24 |
| Complexity | 891.3375 |
Chemical Identifiers
| CAS Number | 335206-60-5 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)NC(=S)NC2C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione (CAS 335206-60-5), with molecular formula C18H15N3O2S and molecular weight 337.09 g/mol. IUPAC: 4-(3-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione.
Chemical Property Profile of 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
Property Insights of 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
The XLogP value of 3.4711 indicates that 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione. Following Lipinski's Rule of Five, 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione has 2 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 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
The CAS number of 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is 335206-60-5.
What is the molecular formula of 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
The molecular formula of 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is C18H15N3O2S.
What is the molecular weight of 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
The molecular weight of 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is 337.09 g/mol.
Where can I buy 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
You can request a quote for 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.