6-nitro-1H-quinazoline-4-thione
TL;DR: 6-nitro-1H-quinazoline-4-thione (CAS 13116-83-1) is a chemical compound with molecular formula C8H5N3O2S and molecular weight 207.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1H-quinazoline-4-thione
Also Known As: starbld0039328, 6-nitro-1H-quinazoline-4-thione, 6-nitroquinazoline-4-thiol, 6-Nitro-3,4-dihydroquinazoline-4-thione, 6-Nitroquinazoline-4(3H)-thione
| Molecular Formula | C8H5N3O2S |
|---|---|
| Molecular Weight | 207.01 g/mol |
| LogP | 2.20059 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.01025 |
| Heavy Atoms | 14 |
| Complexity | 563.76013 |
Chemical Identifiers
| CAS Number | 13116-83-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=S)N=CN2 |
Product Overview
6-nitro-1H-quinazoline-4-thione (CAS 13116-83-1), with molecular formula C8H5N3O2S and molecular weight 207.01 g/mol. IUPAC: 6-nitro-1H-quinazoline-4-thione.
Chemical Property Profile of 6-nitro-1H-quinazoline-4-thione
Property Insights of 6-nitro-1H-quinazoline-4-thione
The XLogP value of 2.20059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-nitro-1H-quinazoline-4-thione. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-nitro-1H-quinazoline-4-thione. Following Lipinski's Rule of Five, 6-nitro-1H-quinazoline-4-thione 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 6-nitro-1H-quinazoline-4-thione?
The CAS number of 6-nitro-1H-quinazoline-4-thione is 13116-83-1.
What is the molecular formula of 6-nitro-1H-quinazoline-4-thione?
The molecular formula of 6-nitro-1H-quinazoline-4-thione is C8H5N3O2S.
What is the molecular weight of 6-nitro-1H-quinazoline-4-thione?
The molecular weight of 6-nitro-1H-quinazoline-4-thione is 207.01 g/mol.
Where can I buy 6-nitro-1H-quinazoline-4-thione?
You can request a quote for 6-nitro-1H-quinazoline-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-nitro-1H-quinazoline-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-nitro-1H-quinazoline-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.