1,4,6,9-Thianthrenetetrone,2,3,7,8-tetramethyl- supplier

Name
2,3,7,8-TETRAMETHYL-1,4,6,9-THIANTHRENETETRONE
EINECS
CAS No. 22698-81-3
Density 1.48 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₂O₄S₂
Boiling Point 442.8 °C at 760 mmHg
Molecular Weight 332.401
Flash Point 189 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone;
PSA 124.76000
LogP 2.22820

1,4,6,9-Thianthrenetetrone,2,3,7,8-tetramethyl- Specification

The 1,4,6,9-Thianthrenetetrone,2,3,7,8-tetramethyl-, with the CAS registry number 22698-81-3, is also known as 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone. This chemical's molecular formula is C₁₆H₁₂O₄S₂ and molecular weight is 332.3941. What's more, its systematic name is 2,3,7,8-Tetramethylthianthrene-1,4,6,9-tetrone.

Physical properties about 1,4,6,9-Thianthrenetetrone,2,3,7,8-tetramethyl- are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 123.75; (6)ACD/BCF (pH 7.4): 123.75; (7)ACD/KOC (pH 5.5): 1095.09; (8)ACD/KOC (pH 7.4): 1095.09; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 118.88 Å²; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 84.3 cm³; (15)Molar Volume: 223.8 cm³; (16)Polarizability: 33.42×10^-24 cm³; (17)Surface Tension: 62.1 dyne/cm; (18)Density: 1.48 g/cm³; (19)Flash Point: 189 °C; (20)Enthalpy of Vaporization: 70.04 kJ/mol; (21)Boiling Point: 442.8 °C at 760 mmHg; (22)Vapour Pressure: 4.86E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\2C=1S\C3=C(/SC=1C(=O)/C(=C/2C)C)C(=O)\C(=C(/C3=O)C)C
(2) InChI: InChI=1/C16H12O4S2/c1-5-6(2)10(18)14-13(9(5)17)21-15-11(19)7(3)8(4)12(20)16(15)22-14/h1-4H3
(3) InChIKey: XHXPIGHXTFVVOD-UHFFFAOYAS

Product Name

2,3,7,8-TETRAMETHYL-1,4,6,9-THIANTHRENETETRONE

1,4,6,9-Thianthrenetetrone,2,3,7,8-tetramethyl- Specification

Related Products

Hot Products