2-Thiazolamine, 5-(1,1-dimethylethyl)-4-methyl- supplier

Name
5-TERT-BUTYL-4-METHYL-THIAZOL-2-YLAMINE
EINECS
CAS No. 45865-42-7
Article Data2
CAS DataBase
Density 1.081 g/cm³
Solubility
Melting Point 70-71 °C
Formula C₈H₁₄N₂S
Boiling Point 269.6 °C at 760 mmHg
Molecular Weight 170.2752
Flash Point 116.8 °C
Transport Information
Appearance
Safety
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Tert-butyl-4-methyl-1,3-thiazol-2-amine;5-Tert-Butyl-4-methyl-thiazol-2-ylamine;
PSA 67.15000
LogP 2.91240

2-Thiazolamine, 5-(1,1-dimethylethyl)-4-methyl- Specification

The 2-Thiazolamine, 5-(1,1-dimethylethyl)-4-methyl- is an organic compound with the formula C₈H₁₄N₂S. The systematic name of this chemical is 5-Tert-butyl-4-methyl-1,3-thiazol-2-amine. With the CAS registry number 45865-42-7, it is also named as 5-Tert-Butyl-4-methyl-thiazol-2-ylamine. Besides, its molecular weight is 170.28.

The physical properties of 2-Thiazolamine, 5-(1,1-dimethylethyl)-4-methyl- are: (1)ACD/LogP: 2.53; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): 2.43; (4)ACD/BCF (pH 5.5): 2.44; (5)ACD/BCF (pH 7.4): 39.14; (6)ACD/KOC (pH 5.5): 28.11; (7)ACD/KOC (pH 7.4): 450.25; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 44.37 Å²; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 50.17 cm³; (14)Molar Volume: 157.3 cm³; (15)Polarizability: 19.89×10^-24 cm³; (16)Surface Tension: 40.1 dyne/cm; (17)Density: 1.081 g/cm³; (18)Flash Point: 116.8 °C; (19)Enthalpy of Vaporization: 50.77 kJ/mol; (20)Boiling Point: 269.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0072 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c(sc1N)C(C)(C)C)C
(2)InChI: InChI=1/C8H14N2S/c1-5-6(8(2,3)4)11-7(9)10-5/h1-4H3,(H2,9,10)
(3)InChIKey: WCDNODZFXIBEJD-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H14N2S/c1-5-6(8(2,3)4)11-7(9)10-5/h1-4H3,(H2,9,10)
(5)Std. InChIKey: WCDNODZFXIBEJD-UHFFFAOYSA-N

Product Name

5-TERT-BUTYL-4-METHYL-THIAZOL-2-YLAMINE

2-Thiazolamine, 5-(1,1-dimethylethyl)-4-methyl- Specification

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