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5330-67-6

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Basic Information
CAS No.: 5330-67-6
Name: 4-M-TOLYL-THIAZOL-2-YLAMINE
Article Data: 19
Molecular Structure:
Molecular Structure of 5330-67-6 (4-M-TOLYL-THIAZOL-2-YLAMINE)
Formula: C10H10N2S
Molecular Weight: 190.269
Synonyms: 2-Amino-4-(3-methylphenyl)thiazole;4-(3-Methylphenyl)-2-thiazolamine;NSC 2509;
Density: 1.219g/cm3
Boiling Point: 362.9 °C at 760 mmHg
Flash Point: 173.3 °C
PSA: 67.15000
LogP: 3.28190
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Specification

The 2-Thiazolamine,4-(3-methylphenyl)-, with CAS registry number 5330-67-6, has the systematic name of 4-(3-methylphenyl)-1,3-thiazol-2-amine. Besides this, it is also called 4-M-tolyl-thiazol-2-ylamine. And the chemical formula of this chemical is C10H10N2S.

Physical properties of 2-Thiazolamine,4-(3-methylphenyl)-: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 31.93; (6)ACD/BCF (pH 7.4): 54.96; (7)ACD/KOC (pH 5.5): 354.95; (8)ACD/KOC (pH 7.4): 610.95; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 56.38 cm3; (15)Molar Volume: 155.9 cm3; (16)Polarizability: 22.35×10-24cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.219 g/cm3; (19)Flash Point: 173.3 °C; (20)Enthalpy of Vaporization: 60.89 kJ/mol; (21)Boiling Point: 362.9 °C at 760 mmHg; (22)Vapour Pressure: 1.87E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(c1cc(ccc1)C)csc2N
(2)InChI: InChI=1/C10H10N2S/c1-7-3-2-4-8(5-7)9-6-13-10(11)12-9/h2-6H,1H3,(H2,11,12)
(3)InChIKey: RIUUKEZVLWNMFF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H10N2S/c1-7-3-2-4-8(5-7)9-6-13-10(11)12-9/h2-6H,1H3,(H2,11,12)
(5)Std. InChIKey: RIUUKEZVLWNMFF-UHFFFAOYSA-N