CAS No.648450-29-7,5-(6-Quinoxalinylmethylene)-2,4-thiazolidinedione Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	648450-29-7
Name:	5-(6-Quinoxalinylmethylene)-2,4-thiazolidinedione

Formula:	C₁₂H₇N₃O₂S
Molecular Weight:	257.2679
Synonyms:	5-(Quinoxalin-6-ylmethylene)thiazolidine-2,4-dione;AS 605240;
Density:	1.553 g/cm³
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	97.25000
LogP:	2.28250

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Specification

The 2, 4-Thiazolidinedione, 5-(6-quinoxalinylmethylene)-, with the CAS registry number 648450-29-7, is also known as 5-(6-Quinoxalinylmethylene)-2, 4-thiazolidine-2, 4-dione. It belongs to the product category of API. This chemical's molecular formula is C₁₂H₇N₃O₂S and molecular weight is 257.2679. What's more, its systematic name is 5-(Quinoxalin-6-ylmethylene)thiazolidine-2, 4-dione.

Physical properties about 2, 4-Thiazolidinedione, 5-(6-quinoxalinylmethylene)- are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.04; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 88.46 Å²; (9)Index of Refraction: 1.792; (10)Molar Refractivity: 70.27 cm³; (11)Molar Volume: 165.5 cm³; (12)Polarizability: 27.85×10^-24 cm³; (13)Surface Tension: 86.7 dyne/cm; (14)Density: 1.553 g/cm³.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(SC(=O)N1)=Cc3cc2nccnc2cc3
(2) InChI: InChI=1/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
(3) InChIKey: SQWZFLMPDUSYGV-UHFFFAOYAF