Product Name

  • Name

    5-[(3-NITROPHENYL)METHYLENE]-1,3-THIAZOLANE-2,4-DIONE

  • EINECS
  • CAS No. 24044-52-8
  • Article Data16
  • CAS DataBase
  • Density 1.595 g/cm3
  • Solubility
  • Melting Point 185-187 °C
  • Formula C10H6N2O4S
  • Boiling Point
  • Molecular Weight 250.235
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 24044-52-8 (5-[(3-NITROPHENYL)METHYLENE]-1,3-THIAZOLANE-2,4-DIONE)
  • Hazard Symbols IrritantXi
  • Synonyms 5-(3-Nitrobenzylidene)thiazolidine-2,4-dione;2,4-Thiazolidinedione,5-(m-nitrobenzylidene)- (6CI,8CI);
  • PSA 117.29000
  • LogP 2.77070

2,4-Thiazolidinedione,5-[(3-nitrophenyl)methylene]- Specification

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

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