Ethanone,1-[4-amino-2-(methylthio)-5-thiazolyl]- supplier

Name
1-[4-AMINO-2-(METHYLSULFANYL)-1,3-THIAZOL-5-YL]ETHANONE
EINECS
CAS No. 39736-26-0
Article Data7
CAS DataBase
Density 1.38 g/cm³
Solubility
Melting Point
Formula C₆H₈N₂OS₂
Boiling Point 366.9 °C at 760 mmHg
Molecular Weight 188.274
Flash Point 175.7 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 22-43
Molecular Structure
Hazard Symbols Xn
Synonyms 1-(4-Amino-2-(methylsulfanyl)-thiazol-5-yl)ethanone;
PSA 109.52000
LogP 2.23100

Ethanone,1-[4-amino-2-(methylthio)-5-thiazolyl]- 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

Product Name

1-[4-AMINO-2-(METHYLSULFANYL)-1,3-THIAZOL-5-YL]ETHANONE

Ethanone,1-[4-amino-2-(methylthio)-5-thiazolyl]- Specification

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