-
Name
5-(6-Quinoxalinylmethylene)-2,4-thiazolidinedione
- EINECS
- CAS No. 648450-29-7
- Density 1.553 g/cm3
- Solubility
- Melting Point
- Formula C12H7N3O2S
- Boiling Point
- Molecular Weight 257.2679
- Flash Point
- Transport Information
- Appearance
- Safety 26
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 5-(Quinoxalin-6-ylmethylene)thiazolidine-2,4-dione;AS 605240;
- PSA 97.25000
- LogP 2.28250
AS-605240 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
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