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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6132		Relay (1.0) Calculated Property
ΔfG°	351.87	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	251.09	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	107.87	kJ/mol	Relay (1.0) Calculated Property
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
Pc	3314.22	kPa	Relay (1.0-beta) Calculated Property
Tboil	[707.00; 707.20]	K
Tboil	707.20	K	NIST
Tboil	707.00	K	NIST
Tc	976.68	K	Relay (1.0) Calculated Property
Tfus	[467.95; 468.00]	K
Tfus	467.95	K	Aq. Solubility Prediction
Tfus	468.00	K	NIST
Vc	0.667	m3/kmol	Relay (1.0) Calculated Property

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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