2-methyl-6-nitro-1H-quinazoline-4-thione
TL;DR: 2-methyl-6-nitro-1H-quinazoline-4-thione (CAS 13116-84-2) is a chemical compound with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-nitro-1H-quinazoline-4-thione
Also Known As: starbld0011390, 2-methyl-6-nitro-1H-quinazoline-4-thione, 2-Methyl-6-nitro-3,4-dihydroquinazoline-4-thione, 2-Methyl-6-nitroquinazoline-4(3H)-thione, 2-methyl-6-nitro-4(1h)-quinazolinethione
| Molecular Formula | C9H7N3O2S |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 2.50901 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.0259 |
| Heavy Atoms | 15 |
| Complexity | 605.8192 |
Chemical Identifiers
| CAS Number | 13116-84-2 |
|---|---|
| SMILES | CC1=NC(=S)C2=C(N1)C=CC(=C2)[N+](=O)[O-] |
Product Overview
2-methyl-6-nitro-1H-quinazoline-4-thione (CAS 13116-84-2), with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol. IUPAC: 2-methyl-6-nitro-1H-quinazoline-4-thione.
Chemical Property Profile of 2-methyl-6-nitro-1H-quinazoline-4-thione
Property Insights of 2-methyl-6-nitro-1H-quinazoline-4-thione
The XLogP value of 2.50901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-6-nitro-1H-quinazoline-4-thione. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-6-nitro-1H-quinazoline-4-thione. Following Lipinski's Rule of Five, 2-methyl-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 2-methyl-6-nitro-1H-quinazoline-4-thione?
The CAS number of 2-methyl-6-nitro-1H-quinazoline-4-thione is 13116-84-2.
What is the molecular formula of 2-methyl-6-nitro-1H-quinazoline-4-thione?
The molecular formula of 2-methyl-6-nitro-1H-quinazoline-4-thione is C9H7N3O2S.
What is the molecular weight of 2-methyl-6-nitro-1H-quinazoline-4-thione?
The molecular weight of 2-methyl-6-nitro-1H-quinazoline-4-thione is 221.03 g/mol.
Where can I buy 2-methyl-6-nitro-1H-quinazoline-4-thione?
You can request a quote for 2-methyl-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 2-methyl-6-nitro-1H-quinazoline-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-6-nitro-1H-quinazoline-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.