2-Thiazolamine,4-(1-methylethyl)- supplier

Name
4-isopropyl-1,3-thiazol-2-amine
EINECS
CAS No. 79932-20-0
Article Data13
CAS DataBase
Density 1.142 g/cm³
Solubility
Melting Point 48-50 °C
Formula C₆H₁₀N₂S
Boiling Point 239.4 °C at 760 mmHg
Molecular Weight 142.225
Flash Point 98.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thiazole,2-amino-4-isopropyl- (6CI,7CI);(4-Isopropylthiazol-2-yl)amine;2-Amino-4-isopropylthiazole;4-Isopropyl-1,3-thiazol-2-ylamine;4-Isopropylthiazol-2-amine;
PSA 67.15000
LogP 2.42990

2-Thiazolamine,4-(1-methylethyl)- Specification

The 2-Thiazolamine,4-(1-methylethyl)- is an organic compound with the formula C₆H₁₀N₂S. The IUPAC name of this chemical is 4-propan-2-yl-1,3-thiazol-2-amine. With the CAS registry number 79932-20-0, it is also named as 4-Isopropyl-1,3-thiazol-2-amine.

Physical properties about 2-Thiazolamine,4-(1-methylethyl)- are: (1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): 0.98; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 2.17; (5)ACD/BCF (pH 7.4): 11.27; (6)ACD/KOC (pH 5.5): 37.35; (7)ACD/KOC (pH 7.4): 194.01; (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: 1.575; (13)Molar Refractivity: 41.14 cm³; (14)Molar Volume: 124.4 cm³; (15)Polarizability: 16.31×10^-24cm³; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.142 g/cm³; (18)Flash Point: 98.6 °C; (19)Enthalpy of Vaporization: 47.62 kJ/mol; (20)Boiling Point: 239.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0403 mmHg at 25°C.

Preparation: this chemical can be prepared by thiourea and 2-chloro-2-isopropyl-oxirane. This reaction will need reagent triethylamine, molecular sieves 4 Angstroem and solvent CH₂Cl₂, methanol. The reaction time is 6 hours with reaction temperature of 40 °C. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(csc1N)C(C)C
(2)InChI: InChI=1/C6H10N2S/c1-4(2)5-3-9-6(7)8-5/h3-4H,1-2H3,(H2,7,8)
(3)InChIKey: LGPVXXJBWWYOSL-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H10N2S/c1-4(2)5-3-9-6(7)8-5/h3-4H,1-2H3,(H2,7,8)
(5)Std. InChIKey: LGPVXXJBWWYOSL-UHFFFAOYSA-N

Product Name

4-isopropyl-1,3-thiazol-2-amine

2-Thiazolamine,4-(1-methylethyl)- Specification

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