6,7-dichloro-1H-quinazoline-4-thione
TL;DR: 6,7-dichloro-1H-quinazoline-4-thione (CAS 6954-86-5) is a chemical compound with molecular formula C8H4Cl2N2S and molecular weight 229.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dichloro-1H-quinazoline-4-thione
Also Known As: 6,7-dichloro-1H-quinazoline-4-thione, 6,7-Dichloroquinazoline-4(1H)-thione
| Molecular Formula | C8H4Cl2N2S |
|---|---|
| Molecular Weight | 229.95 g/mol |
| LogP | 3.59919 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.94722 |
| Heavy Atoms | 13 |
| Complexity | 521.0232 |
Chemical Identifiers
| CAS Number | 6954-86-5 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)Cl)NC=NC2=S |
Product Overview
6,7-dichloro-1H-quinazoline-4-thione (CAS 6954-86-5), with molecular formula C8H4Cl2N2S and molecular weight 229.95 g/mol. IUPAC: 6,7-dichloro-1H-quinazoline-4-thione.
Chemical Property Profile of 6,7-dichloro-1H-quinazoline-4-thione
Property Insights of 6,7-dichloro-1H-quinazoline-4-thione
The XLogP value of 3.59919 indicates that 6,7-dichloro-1H-quinazoline-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 6,7-dichloro-1H-quinazoline-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-dichloro-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 6,7-dichloro-1H-quinazoline-4-thione?
The CAS number of 6,7-dichloro-1H-quinazoline-4-thione is 6954-86-5.
What is the molecular formula of 6,7-dichloro-1H-quinazoline-4-thione?
The molecular formula of 6,7-dichloro-1H-quinazoline-4-thione is C8H4Cl2N2S.
What is the molecular weight of 6,7-dichloro-1H-quinazoline-4-thione?
The molecular weight of 6,7-dichloro-1H-quinazoline-4-thione is 229.95 g/mol.
Where can I buy 6,7-dichloro-1H-quinazoline-4-thione?
You can request a quote for 6,7-dichloro-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 6,7-dichloro-1H-quinazoline-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dichloro-1H-quinazoline-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.