Products Categories
CAS No.: | 24044-52-8 |
---|---|
Name: | 5-[(3-NITROPHENYL)METHYLENE]-1,3-THIAZOLANE-2,4-DIONE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C10H6N2O4S |
Molecular Weight: | 250.235 |
Synonyms: | 5-(3-Nitrobenzylidene)thiazolidine-2,4-dione;2,4-Thiazolidinedione,5-(m-nitrobenzylidene)- (6CI,8CI); |
Density: | 1.595 g/cm3 |
Melting Point: | 185-187 °C |
Hazard Symbols: | Xi |
PSA: | 117.29000 |
LogP: | 2.77070 |
What can I do for you?
Get Best Price
The 2,4-Thiazolidinedione,5-[(3-nitrophenyl)methylene]- is an organic compound with the formula C10H6N2O4S. The systematic name of this chemical is 5-(3-nitrobenzylidene)-1,3-thiazolidine-2,4-dione. With the CAS registry number 24044-52-8, it is also named as 5-(3-Nitro-benzylidene)-thiazolidine-2,4-dione.
Physical properties about 2,4-Thiazolidinedione,5-[(3-nitrophenyl)methylene]- are: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): 1.33; (3)ACD/LogD (pH 7.4): 0.91; (4)ACD/BCF (pH 5.5): 6; (5)ACD/BCF (pH 7.4): 2.28; (6)ACD/KOC (pH 5.5): 124.74; (7)ACD/KOC (pH 7.4): 47.35; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 108.5 Å2; (12)Index of Refraction: 1.732; (13)Molar Refractivity: 62.79 cm3; (14)Molar Volume: 156.8 cm3; (15)Polarizability: 24.89×10-24cm3; (16)Surface Tension: 78.1 dyne/cm; (17)Density: 1.595 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(/SC(=O)N1)=C\c2cccc([N+]([O-])=O)c2
(2)InChI: InChI=1/C10H6N2O4S/c13-9-8(17-10(14)11-9)5-6-2-1-3-7(4-6)12(15)16/h1-5H,(H,11,13,14)/b8-5+
(3)InChIKey: HWOVMANHBOBQRW-VMPITWQZBJ
(4)Std. InChI: InChI=1S/C10H6N2O4S/c13-9-8(17-10(14)11-9)5-6-2-1-3-7(4-6)12(15)16/h1-5H,(H,11,13,14)/b8-5+
(5)Std. InChIKey: HWOVMANHBOBQRW-VMPITWQZSA-N