2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one
TL;DR: 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one (CAS 16064-21-4) is a chemical compound with molecular formula C8H10N2OS and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-one
Also Known As: 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one, 2-Sulfanyl-5,6,7,8-tetrahydro-4-quinazolinol, sulfanyltetrahydroquinazolinol, 2-sulfanyl-5,6,7,8-tetrahydroquinazolin-4-ol, NIOSH/VA4251500
| Molecular Formula | C8H10N2OS |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 1.31129 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.05139 |
| Heavy Atoms | 12 |
| Complexity | 404.25427 |
Chemical Identifiers
| CAS Number | 16064-21-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)NC(=S)N2 |
Product Overview
2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one (CAS 16064-21-4), with molecular formula C8H10N2OS and molecular weight 182.05 g/mol. IUPAC: 2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-one.
Chemical Property Profile of 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one
Property Insights of 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one
The XLogP value of 1.31129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one. With a topological polar surface area (TPSA) of 48.65 Ų, 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one has 2 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 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one?
The CAS number of 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one is 16064-21-4.
What is the molecular formula of 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one?
The molecular formula of 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one is C8H10N2OS.
What is the molecular weight of 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one?
The molecular weight of 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one is 182.05 g/mol.
Where can I buy 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one?
You can request a quote for 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.