77694-48-5

Basic information

• Product Name: 3-(chloromethyl)thiochromone 1,1-dioxide
• Synonyms: 3-(chloromethyl)thiochromone 1,1-dioxide
• CAS NO: 77694-48-5
• Molecular Formula: C₁₀H₇ClO₃S
• Molecular Weight: 0
• Mol File: 77694-48-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 435.2°C at 760 mmHg
• Flash Point: 217°C
• Appearance: /
• Density: 1.488g/cm³
• Vapor Pressure: 8.93E-08mmHg at 25°C
• Refractive Index: 1.611
• CAS DataBase Reference: 3-(chloromethyl)thiochromone 1,1-dioxide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(chloromethyl)thiochromone 1,1-dioxide(77694-48-5)
• EPA Substance Registry System: 3-(chloromethyl)thiochromone 1,1-dioxide(77694-48-5)

Safety Data

• Hazardous Substances Data: 77694-48-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H7ClO3S/c11-5-7-6-15(13,14)9-4-2-1-3-8(9)10(7)12/h1-4,6H,5H2

Upstream product

• 491-39-4 thiochromen-4-one 
• 50-00-0 formaldehyd 
• 22810-27-1 1-thiochromone 1,1-dioxide 

Downstream Products

• 77694-62-3 3-<methyl>thiochromate 1,1-dioxide 
• 77694-67-8 3-<<oxy>methyl>thiochromate 1,1-dioxide 
• 77694-59-8 Benzoic acid 1,1,4-trioxo-1,4-dihydro-1λ⁶-thiochromen-3-ylmethyl ester 
• 77694-60-1 3-(anilinomethyl)thiochromate 1,1-dioxide 

Relevant articles and documents

Synthesis and Antitumor Activity of a Series of Sulfone Analogues of 1,4-Naphthoquinone

A series of novel subsituted thiochromones and thiochroman-4-ones was synthesized.Compounds were designed as anlogues of naphthoquinone and as potential "bioreductive alkylating agents" and were tested for antitumor activity.The lead compound, 3-(chloromethyl)thiochromone 1,1-dioxide (4), inhibited Ehrlich ascites tumor growth by 100percent in CF1 male mice at 10 (mg/kg) day ip.Similarly, 18 of the 29 related compounds demonstrated good activity in this tumor screen.Few definitive structure-activity correlations were evident regarding the nature of the 3-substituent.How ever, the 2,3 double bond and a sulfone or sulfoxide were required for activity.Four of the compounds synthesized showed marginal but significant activity against P-388 lymphocytic leukemia.