6-methyl-1H-quinazoline-4-thione
TL;DR: 6-methyl-1H-quinazoline-4-thione (CAS 13116-91-1) is a chemical compound with molecular formula C9H8N2S and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1H-quinazoline-4-thione
Also Known As: 6-methyl-1H-quinazoline-4-thione, 6-Methylquinazoline-4(3H)-thione, 3,4-dihydro-6-methyl-4-thioquinazoline, 6-methyl-3,4-dihydroquinazoline-4-thione, J1.872.826E
| Molecular Formula | C9H8N2S |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 2.60081 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.04082 |
| Heavy Atoms | 12 |
| Complexity | 473.15738 |
Chemical Identifiers
| CAS Number | 13116-91-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC=NC2=S |
Product Overview
6-methyl-1H-quinazoline-4-thione (CAS 13116-91-1), with molecular formula C9H8N2S and molecular weight 176.04 g/mol. IUPAC: 6-methyl-1H-quinazoline-4-thione.
Chemical Property Profile of 6-methyl-1H-quinazoline-4-thione
Property Insights of 6-methyl-1H-quinazoline-4-thione
The XLogP value of 2.60081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-1H-quinazoline-4-thione. With a topological polar surface area (TPSA) of 28.68 Ų, 6-methyl-1H-quinazoline-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-1H-quinazoline-4-thione has 1 hydrogen bond donor(s) and 2 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-methyl-1H-quinazoline-4-thione?
The CAS number of 6-methyl-1H-quinazoline-4-thione is 13116-91-1.
What is the molecular formula of 6-methyl-1H-quinazoline-4-thione?
The molecular formula of 6-methyl-1H-quinazoline-4-thione is C9H8N2S.
What is the molecular weight of 6-methyl-1H-quinazoline-4-thione?
The molecular weight of 6-methyl-1H-quinazoline-4-thione is 176.04 g/mol.
Where can I buy 6-methyl-1H-quinazoline-4-thione?
You can request a quote for 6-methyl-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-methyl-1H-quinazoline-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-1H-quinazoline-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.