5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione (CAS 6965-89-5) is a chemical compound with molecular formula C12H10N4OS3 and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione, 5-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione, 5-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione, 5-{[(4-Methyl-3-oxo-3lambda~5~-quinazolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazole-2(3H)-thione
| Molecular Formula | C12H10N4OS3 |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 2.98301 |
| Topological Polar Surface Area | 68.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.00168 |
| Heavy Atoms | 20 |
| Complexity | 826.92566 |
Chemical Identifiers
| CAS Number | 6965-89-5 |
|---|---|
| SMILES | CC1=[N+](C(=NC2=CC=CC=C12)CSC3=NNC(=S)S3)[O-] |
Product Overview
5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione (CAS 6965-89-5), with molecular formula C12H10N4OS3 and molecular weight 322.00 g/mol. IUPAC: 5-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 2.98301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione. The TPSA of 68.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione. Following Lipinski's Rule of Five, 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione has 1 hydrogen bond donor(s) and 6 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 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione is 6965-89-5.
What is the molecular formula of 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione is C12H10N4OS3.
What is the molecular weight of 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione is 322.00 g/mol.
Where can I buy 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.