Chemical Properties of Benzenamine, 4-(6-methyl-2-benzothiazolyl)- (CAS 92-36-4)

InChI

InChI=1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3

InChI Key

XRTJYEIMLZALBD-UHFFFAOYSA-N

Formula

C14H12N2S

SMILES

Cc1ccc2nc(-c3ccc(N)cc3)sc2c1

Molecular Weight¹

240.32

CAS

92-36-4

Other Names

• 2-(4-Aminophenyl)-6-methylbenzothiazole
• 2-(4-aminophenyl)-6-methyl-benzothiazole
• 2-(p-Aminophenyl)-6-methylbenzothiazole
• 4-(6-Methyl-2-benzethiazolyl)-benzeneamine
• 4-(6-Methyl-2-benzothiazolyl)aniline
• 4-(6-Methyl-2-benzothiazolyl)benzenamine
• 4-(6-methylbenzothiazol-2-yl)aniline
• Benzothiazole, 2-(p-aminophenyl)-6-methyl-
• DHPT
• Dehydrothio-p-toluidine
• NSC 15370
• p-(6-Methylbenzothiazol-2-yl)aniline

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.40	eV	Relay (1.0) Calculated Property
log10WS	-3.68		Aq. Solubility Prediction
logPoct/wat	3.854		Crippen Calculated Property
McVol	181.750	ml/mol	McGowan Calculated Property
Tboil	[707.00; 707.20]	K
Tboil	707.20	K	NIST
Tboil	707.00	K	NIST
Tfus	[467.95; 468.00]	K
Tfus	467.95	K	Aq. Solubility Prediction
Tfus	468.00	K	NIST

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 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

Find more compounds similar to Benzenamine, 4-(6-methyl-2-benzothiazolyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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