21808-80-0

Basic information

• Product Name: 3-benzyl-5-butyl-1,3,5-thiadiazinane-2-thione
• Synonyms: 2H-1,3,5-thiadiazine-2-thione, 5-butyltetrahydro-3-(phenylmethyl)-; 3-Benzyl-5-butyl-1,3,5-thiadiazinane-2-thione
• CAS NO: 21808-80-0
• Molecular Formula: C₁₄H₂₀N₂S₂
• Molecular Weight: 280.452
• Mol File: 21808-80-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 397.8°C at 760 mmHg
• Flash Point: 194.4°C
• Density: 1.19g/cm³
• Vapor Pressure: 1.54E-06mmHg at 25°C
• Refractive Index: 1.64
• CAS DataBase Reference: 3-benzyl-5-butyl-1,3,5-thiadiazinane-2-thione(CAS DataBase Reference)
• NIST Chemistry Reference: 3-benzyl-5-butyl-1,3,5-thiadiazinane-2-thione(21808-80-0)
• EPA Substance Registry System: 3-benzyl-5-butyl-1,3,5-thiadiazinane-2-thione(21808-80-0)

Safety Data

• Hazardous Substances Data: 21808-80-0(Hazardous Substances Data)

Upstream product

• 50-00-0 formaldehyd 
• 1950-25-0 potassium benzylcarbamodithioate 
• 109-73-9 N-butylamine 
• 75-15-0 carbon disulfide 
• 100-46-9 benzylamine 

Relevant articles and documents

Synthesis, in vitro urease inhibitory activity and molecular docking of 3,5-disubstituted thiadiazine-2-thiones

A series of 3,5-disubstituted-tetrahydro-thiadiazine-2-thione (1-16) have been synthesized, characterized by elemental analysis, infrared (IR), UV-visible, 1H NMR, 13C NMR, and MS spectroscopic techniques, and screened against jack bean urease. Among 16 compounds, compounds (1), (2), (3), (4), (6), (7), and (9) demonstrated excellent urease inhibitory activity with IC50 values (9.8?±?0.5, 11.0?±?0.6, 16.0?±?1.5, 17.2?±?0.5, 15.4?±?0.5, 19.7?±?0.4, and 15.8?±?0.2μM), respectively, even better than the standard thiourea (IC50?=?21?±?0.01μM). However, compound (8) shows an almost same level of inhibition (IC50?=?22.9?±?0.3μM), as like standard. In this work, we reported for the first time urease inhibitory activity of thiadiazine thiones and its molecular docking studies.