Chemical Properties of Benzothiazole, 5-chloro-2-methyl- (CAS 1006-99-1)

Benzothiazole, 5-chloro-2-methyl-

InChI
InChI=1S/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChI Key
XCALAYIRFYALSX-UHFFFAOYSA-N
Formula
C8H6ClNS
SMILES
Cc1nc2cc(Cl)ccc2s1
Molecular Weight1
183.66
CAS
1006-99-1
Other Names
  • 5-Chloro-2-methylbenzothiazole
  • USAF ek-p-4382
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Physical Properties

Property Value Unit Source
IE 8.46 eV Relay (1.0) Calculated Property
logPoct/wat 3.258 Crippen Calculated Property
McVol 123.230 ml/mol McGowan Calculated Property
Tboil 541.76 K Relay (1.0) Calculated Property
Tfus 338.55 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Benzothiazole, 2-methyl-. Benzothiazol-2-ylacetonitrile. 5-methoxy-2-methylbenzothiazole. Benzothiazole, 2,5-dimethyl-. 6-Benzothiazolamine,2-methyl-. Naphtho[1,2-d]thiazole, 2-methyl-. Benzothiazole, 2-methyl-6-nitro-. Benzothiazole, 2,6-dimethyl-. Ethanone, 1-(2-benzothiazolyl)-. N-(5,6-Dichloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide. 5,6-Dichloro-1,3-benzothiazol-2-(N-trimethylsilyl)amine. N-(5,6-Dichloro-1,3-benzothiazol-2-yl)acetamide. N-(5,6-Dichloro-1,3-benzothiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide. N-(5,6-Dichloro-1,3-benzothiazol-2-yl)-2,2,3,3,4,4,4-heptafluorobutanamide. Indomethacin, TBDMS.

Find more compounds similar to Benzothiazole, 5-chloro-2-methyl-.

Sources

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