2-(5-Methyl-1,3-benzothiazol-2-yl)acetonitrile

Base Information

• Chemical Name: 2-(5-Methyl-1,3-benzothiazol-2-yl)acetonitrile
• CAS No.: 157764-08-4
• Molecular Formula: C10H8 N2 S
• Molecular Weight: 188.25
• DSSTox Substance ID: DTXSID101290338
• Mol file: 157764-08-4.mol

Synonyms:157764-08-4;2-(5-methyl-1,3-benzothiazol-2-yl)acetonitrile;SCHEMBL11584549;DTXSID101290338;5-Methyl-2-benzothiazoleacetonitrile;DB-281154;2-BENZOTHIAZOLEACETONITRILE, 5-METHYL-

Chemical Property of 2-(5-Methyl-1,3-benzothiazol-2-yl)acetonitrile

Chemical Property:

• Boiling Point: 345.1±25.0 °C(Predicted)
• PKA: 0.48±0.10(Predicted)
• PSA: 64.92000
• Density: 1.265±0.06 g/cm3(Predicted)
• LogP: 2.67078
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.04081944
• Heavy Atom Count: 13
• Complexity: 232

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)SC(=N2)CC#N

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