Chemical Properties of Benzothiazole, 2,5-dimethyl- (CAS 95-26-1)

Benzothiazole, 2,5-dimethyl-

InChI
InChI=1S/C9H9NS/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3
InChI Key
XHANCLXYCNTZMM-UHFFFAOYSA-N
Formula
C9H9NS
SMILES
Cc1ccc2sc(C)nc2c1
Molecular Weight1
163.24
CAS
95-26-1
Other Names
  • 2,5-Dimethylbenzthiazol
  • 2,5-dimethyl-1,3-benzothiazole
  • 2,5-dimethylbenzothiazole
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Physical Properties

Property Value Unit Source
ω 0.4059 Relay (1.0) Calculated Property
Δf 206.10 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas 134.79 kJ/mol Relay (1.0) Calculated Property
Δvap 66.68 kJ/mol Relay (1.0) Calculated Property
IE 8.31 eV Relay (1.0) Calculated Property
log10WS -2.77 Relay (1.0) Calculated Property
logPoct/wat 2.913 Crippen Calculated Property
McVol 125.080 ml/mol McGowan Calculated Property
Pc 3959.57 kPa Relay (1.0-beta) Calculated Property
Tboil 529.54 K Relay (1.0) Calculated Property
Tc 778.47 K Relay (1.0) Calculated Property
Tfus 338.99 K Relay (1.0) Calculated Property
Vc 0.466 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 84.90 kJ/mol 298.15 Energetic study of benzothiazole and two methylbenzothiazole derivatives: Calorimetric and computational approaches

Similar Compounds

Benzothiazole, 2,6-dimethyl-. Benzothiazole, 2-methyl-. 2-Cyanomethyl-1,3-benzothiazole. Benzothiazole, 5-chloro-2-methyl-. 5-methoxy-2-methylbenzothiazole. Benzothiazole, 2-methyl-6-nitro-. Naphtho[1,2-d]thiazole, 2-methyl-. 6-Benzothiazolamine,2-methyl-. 2-(2-Benzothiazolyl)-5-methylphenol. 2-Benzothiazolamine, 4-methyl-. Benzenamine, 4-(6-methyl-2-benzothiazolyl)-. 2-o-Tolylbenzothiazole. Indomethacin, TBDMS. Mepindolol, acetylated. 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno.

Find more compounds similar to Benzothiazole, 2,5-dimethyl-.

Sources

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