2-Methyl-5-methylthio-benzothiazole

Base Information

• Chemical Name: 2-Methyl-5-methylthio-benzothiazole
• CAS No.: 68386-29-8
• Molecular Formula: C9H9NS2
• Molecular Weight: 195.30400
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID50449627
• Wikidata: Q82269150
• Mol file: 68386-29-8.mol

Synonyms:68386-29-8;2-methyl-5-methylthio-benzothiazole;2-Methyl-5-(methylthio)benzo[d]thiazole;Benzothiazole, 2-methyl-5-(methylthio)-;2-methyl-5-methylsulfanyl-1,3-benzothiazole;2-methyl-5-(methylsulfanyl)-1,3-benzothiazole;SCHEMBL6140766;DTXSID50449627;2-methyl-5-methylthiobenzothiazole;AKOS026705710;FT-0612976;EN300-7831890;A855362;F9995-1841

Chemical Property of 2-Methyl-5-methylthio-benzothiazole

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 48-50oC
• Boiling Point: 319.215oC at 760 mmHg
• PKA: 1.82±0.10(Predicted)
• Flash Point: 146.856oC
• PSA: 66.43000
• Density: 1.272g/cm3
• LogP: 3.32660
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 195.01764164
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-METHYL-5-METHYLTHIO-BENZOTHIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(S1)C=CC(=C2)SC