41808-35-9

Basic information

• Product Name: 5-Amino-3-methyl-isothiazole-4-carbonitrile
• Synonyms: 5-Amino-3-methyl-isothiazole-4-carbonitrile;5-Amino-4-cyano-3-methylisothiazole;4-Isothiazolecarbonitrile, 5-aMino-3-Methyl-
• CAS NO: 41808-35-9
• Molecular Formula: C₅H₅N₃S
• Molecular Weight: 139.1783
• Mol File: 41808-35-9.mol
• Article Data: 6

Chemical Properties

• Melting Point: 202 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
• Boiling Point: 198.6 °C at 760 mmHg
• Flash Point: 73.9 °C
• Appearance: /
• Density: 1.35 g/cm³
• Vapor Pressure: 0.356mmHg at 25°C
• Refractive Index: 1.61
• Storage Temp.: 2-8°C(protect from light)
• PKA: 5.00±0.50(Predicted)
• CAS DataBase Reference: 5-Amino-3-methyl-isothiazole-4-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Amino-3-methyl-isothiazole-4-carbonitrile(41808-35-9)
• EPA Substance Registry System: 5-Amino-3-methyl-isothiazole-4-carbonitrile(41808-35-9)

Safety Data

• Hazardous Substances Data: 41808-35-9(Hazardous Substances Data)

Usage

General Description

5-Amino-3-methyl-isothiazole-4-carbonitrile is a chemical compound with the molecular formula C5H6N4S. It is a heterocyclic compound containing a five-membered ring with an isothiazole moiety and a carbonitrile group. 5-Amino-3-methyl-isothiazole-4-carbonitrile is commonly used in the pharmaceutical industry as a building block for the synthesis of various drugs and agrochemicals. It has also been studied for its potential biological activities, such as antimicrobial and antifungal properties. Additionally, 5-Amino-3-methyl-isothiazole-4-carbonitrile is known for its role in the preparation of diverse heterocyclic compounds, making it a versatile and important chemical in organic synthesis.

InChI:InChI=1/C5H5N3S/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3

Upstream product

• 49779-27-3 (4-cyano-3-methyl-isothiazol-5-yl)-carbamic acid phenyl ester 
• 41808-30-4 3-amino-2-cyano-but-2-enethioic acid amide 
• 758721-53-8 (2E)-3-amino-2-cyanobut-2-enethioamide 
• 116595-42-7 (2E)-2-cyano-3-ethoxybut-2-enethioamide 
• 5417-82-3 (1-ethoxyethylidene)malononitrile 
• 89943-20-4 2-cyano-3-ethoxythiocrotonamide 

Downstream Products

• 758721-55-0 5-benzyl-3-methyl-6-propyl-[1,2]thiazolo[4,5-e]pyrimidin-4-one 
• 876191-26-3 5-[(3-fluorophenyl)methyl]-3-methyl-6-propyl-[1,2]thiazolo[4,5-e]pyrimidin-4-one 
• 758721-57-2 5-benzyl-6-(1-bromopropyl)-3-methyl-[1,2]thiazolo[4,5-e]pyrimidin-4-one 
• 876191-27-4 6-(1-bromopropyl)-5-[(3-fluorophenyl)methyl]-3-methyl-[1,2]thiazolo[4,5-e]pyrimidin-4-one 
• 758721-59-4 tert-butyl N-[3-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl)propylamino]propyl]carbamate 
• 876191-28-5 tert-butyl N-[3-[1-[5-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]propylamino]propyl]carbamate 
• 876306-71-7 tert-butyl N-[3-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl)propyl-(4-methylbenzoyl)amino]propyl]carbamate 
• 758721-69-6 tert-butyl N-[3-[1-[5-[(4-fluorophenyl)methyl]-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]propyl-(4-methylbenzoyl)amino]propyl]carbamate 
• 876191-29-6 tert-butyl N-[3-[1-[5-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]propyl-(4-methylbenzoyl)amino]propyl]carbamate 
• 876306-81-9 tert-butyl N-[3-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl)propyl-(3-fluoro-4-methylbenzoyl)amino]propyl]carbamate 
• 758721-70-9 tert-butyl N-[3-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl)propyl-(4-bromobenzoyl)amino]propyl]carbamate 

Relevant articles and documents

LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS

Compounds, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds to treat, prevent or diagnose diseases, disorders, or conditions associated with one or more of the lysophosphatidic acid receptors are provided.

Selected fused heterocyclics and uses thereof

This invention relates to novel compounds having the structural formula (I) and to their pharmaceutical compositions and to their methods of use. These novel compounds provide a treatment or prophylaxis of cancer.

Ink compositions

An ink comprising water, a water-dissipatable polymer and one or more dyes of Formula (1): wherein:R1 is H or a substituent;R2 and R3 are each independently optionally substituted alkyl, aryl or aralkyl, or R2 andR3 together with the carbon atom to which they are attached form an optionally substituted ring;R4 is H or optionally substituted alkyl, aryl or aralkyl; andD is an optionally substituted arylene group. Also claimed are the dyes of Formula (1), ink jet printing processes and cartridges containing the inks.