4-Isothiazolecarbonitrile, 3-methoxy-5-(methylthio)-

Base Information

• Chemical Name: 4-Isothiazolecarbonitrile, 3-methoxy-5-(methylthio)-
• CAS No.: 157139-68-9
• Molecular Formula: C6H6N2OS2
• Molecular Weight: 186.25500
• DSSTox Substance ID: DTXSID40351644
• Wikidata: Q82128208
• Mol file: 157139-68-9.mol

Synonyms:157139-68-9;4-Isothiazolecarbonitrile, 3-methoxy-5-(methylthio)-;3-methoxy-5-methylsulfanyl-1,2-thiazole-4-carbonitrile;3-Methoxy-5-(methylthio)isothiazole-4-carbonitrile;3-methoxy-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile;HMS1550H07;TimTec1_005793;SCHEMBL8996631;DTXSID40351644;STK139156;AKOS005404701;NCGC00173505-01;EU-0086318;EN300-126487;SR-01000536200;SR-01000536200-1;3-methoxy-5-(methylsulfanyl)-4-isothiazolecarbonitrile

Chemical Property of 4-Isothiazolecarbonitrile, 3-methoxy-5-(methylthio)-

Chemical Property:

• PSA: 99.45000
• LogP: 1.74528
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 185.99215517
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

3-methoxy-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NSC(=C1C#N)SC