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4-Aminothiazole

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Name

4-Aminothiazole

EINECS N/A
CAS No. 17720-99-9 Density 1.345 g/cm3
PSA 67.15000 LogP 1.30650
Solubility N/A Melting Point N/A
Formula C3H4N2S Boiling Point 239.313 °C at 760 mmHg
Molecular Weight 100.144 Flash Point 98.533 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 17720-99-9 (thiazol-4-amine) Hazard Symbols N/A
Synonyms

Thiazole,4-amino- (8CI);4-Aminothiazole;

Article Data 2

4-Aminothiazole Specification

The 4-Aminothiazole, with CAS registry number 17720-99-9, has the systematic name of 1,3-thiazol-4-amine. Besides this, it is also called thiazol-4-amine. And the chemical formula of this chemical is C3H4N2S. Its molecular weight is 100.14.

Physical properties of 4-Aminothiazole: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5; (6)ACD/KOC (pH 7.4): 8; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 67.15 Å2; (11)Index of Refraction: 1.645; (12)Molar Refractivity: 26.965 cm3; (13)Molar Volume: 74.417 cm3; (14)Polarizability: 10.69×10-24cm3; (15)Surface Tension: 63.918 dyne/cm; (16)Enthalpy of Vaporization: 47.62 kJ/mol; (17)Vapour Pressure: 0.04 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cscn1
(2)InChI: InChI=1/C3H4N2S/c4-3-1-6-2-5-3/h1-2H,4H2
(3)InChIKey: QHHHLHCCVDMOJI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C3H4N2S/c4-3-1-6-2-5-3/h1-2H,4H2
(5)Std. InChIKey: QHHHLHCCVDMOJI-UHFFFAOYSA-N

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