CAS No.61857-83-8,2,2-DIMETHYL-5-THIOPHEN-3-YL-[1,3]DIOXANE-4,6-DIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61857-83-8
Name:	2,2-DIMETHYL-5-THIOPHEN-3-YL-[1,3]DIOXANE-4,6-DIONE
Article Data:	4

Formula:	C₁₀H₁₀O₄S
Molecular Weight:	226.253
Synonyms:	NSC643156;2, 2-Dimethyl-4, 6-dioxo-5-thienyl-1, 3-dioxane;
EINECS:	928-318-3
Density:	1.303 g/cm³
Melting Point:	130 °C
Boiling Point:	465.5 °C at 760 mmHg
Flash Point:	235.3 °C
PSA:	80.84000
LogP:	1.66780

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Specification

The 1, 3-Dioxane-4, 6-dione, 2, 2-dimethyl-5-(3-thienyl)-, with the CAS registry number of 61857-83-8, is also known as 2, 2-Dimethyl-4, 6-dioxo-5-thienyl-1, 3-dioxane and 2, 2-Dimethyl-5-(3-thienyl)-4, 6-Dione-1, 3-dioxane. This chemical's molecular formula is C₁₀H₁₀O₄S and molecular weight is 226.25. What's more, its systematic name is called 2, 2-Dimethyl-5-(thiophen-3-yl)-1, 3-dioxane-4, 6-dione.

Physical properties about 1, 3-Dioxane-4, 6-dione, 2, 2-dimethyl-5-(3-thienyl)- are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 80.84 Å²; (7)Index of Refraction: 1.535; (8)Molar Refractivity: 54.06 cm³; (9)Molar Volume: 173.6 cm³; (10)Polarizability: 21.43×10^-24 cm³; (11)Surface Tension: 43 dyne/cm; (12)Density: 1.303 g/cm³; (13)Flash Point: 235.3 °C; (14)Enthalpy of Vaporization: 72.71 kJ/mol; (15)Boiling Point: 465.5 °C at 760 mmHg; (16)Vapour Pressure: 7.65E-09 mmHg at 25 °C; (17)Melting Point: 130 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2OC(OC(=O)C2c1ccsc1)(C)C
(2) InChI: InChI=1/C10H10O4S/c1-10(2)13-8(11)7(9(12)14-10)6-3-4-15-5-6/h3-5,7H,1-2H3
(3) InChIKey: HAGWJJFKVFSZLP-UHFFFAOYAU