benzothiazole


benzothiazole; 1,3-benzothiazole
Links:🌍 Wikipedia, 📏 NIST, ⚗️ ChemSynthesis, 📖 PubMed
CAS:[95-16-9]
Formula:C7H5NS; 135.19 g/mol
InChiKey:IOJUPLGTWVMSFF-UHFFFAOYSA-N
SMILES:C1=CC=C2C(=C1)N=CS2
Molecular structure of benzothiazole
Density:1.241 g/mL
Molar volume:108.9 mL/mol
Refractive index:1.642
Molecular refractive power:39.35 mL/mol
Dipole moment:1.46 D
Melting point:2 °C
Boiling point:231 °C
Log10 partition octanol / water:2.01
Immiscible with:
1,2,3-propanetriol
Miscible with:
1,2-diethoxyethane,    1,3-propanediol,    2-(2-aminoethylamino)ethanol,    2-amino-2-methyl-1-propanol,    2-ethylhexanol,    3-methyl-1-butanol,    4-hydroxy-4-methylpentan-2-one,    4-methyl-2-pentanone,    N,N-dimethylaniline,    aniline,    benzene,    benzyl alcohol,    butanol,    butyl acetate,    ethanediol,    ethanol,    ethyl benzoate,    furfuryl alcohol,    pyridine,    tetrachloromethane,    tetraethylene glycol dibutyl ether,    triethanolamine

Isomers

1,2-benzisothiazole
Molecular structure of 1,2-benzisothiazole
benzothiazole
Molecular structure of benzothiazole
phenyl isothiocyanate
Molecular structure of phenyl isothiocyanate
phenyl thiocyanate
Molecular structure of phenyl thiocyanate