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39736-26-0

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Basic Information
CAS No.: 39736-26-0
Name: 1-[4-AMINO-2-(METHYLSULFANYL)-1,3-THIAZOL-5-YL]ETHANONE
Article Data: 7
Molecular Structure:
Molecular Structure of 39736-26-0 (1-[4-AMINO-2-(METHYLSULFANYL)-1,3-THIAZOL-5-YL]ETHANONE)
Formula: C6H8N2OS2
Molecular Weight: 188.274
Synonyms: 1-(4-Amino-2-(methylsulfanyl)-thiazol-5-yl)ethanone;
Density: 1.38 g/cm3
Boiling Point: 366.9 °C at 760 mmHg
Flash Point: 175.7 °C
Hazard Symbols: Xn
Risk Codes: 22-43
Safety: 36/37
PSA: 109.52000
LogP: 2.23100
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Specification

The Ethanone,1-[4-amino-2-(methylthio)-5-thiazolyl]- is an organic compound with the formula C6H8N2OS2. The systematic name of this chemical is 1-[4-amino-2-(methylsulfanyl)-1,3-thiazol-5-yl]ethanone. With the CAS registry number 39736-26-0, it is also named as 1-[4-Amino-2-(methylthio)-5-thiazolyl]-ethanone.

Physical properties about Ethanone,1-[4-amino-2-(methylthio)-5-thiazolyl]- are: (1)ACD/LogP: 1.19; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 86.74 Å2; (6)Index of Refraction: 1.626; (7)Molar Refractivity: 48.31 cm3; (8)Molar Volume: 136.3 cm3; (9)Polarizability: 19.15×10-24cm3; (10)Surface Tension: 65.5 dyne/cm; (11)Density: 1.38 g/cm3; (12)Flash Point: 175.7 °C; (13)Enthalpy of Vaporization: 61.33 kJ/mol; (14)Boiling Point: 366.9 °C at 760 mmHg; (15)Vapour Pressure: 1.42E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sc(SC)nc1N)C
(2)InChI: InChI=1/C6H8N2OS2/c1-3(9)4-5(7)8-6(10-2)11-4/h7H2,1-2H3
(3)InChIKey: UGESPDZKMNQVRQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H8N2OS2/c1-3(9)4-5(7)8-6(10-2)11-4/h7H2,1-2H3
(5)Std. InChIKey: UGESPDZKMNQVRQ-UHFFFAOYSA-N