Product Name

  • Name

    5-[(3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid

  • EINECS 247-373-8
  • CAS No. 25962-03-2
  • Density 1.57 g/cm3
  • Solubility
  • Melting Point
  • Formula C16H14N2O3S3
  • Boiling Point 497.3 °C at 760 mmHg
  • Molecular Weight 378.497
  • Flash Point 254.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 25962-03-2 (5-[(3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid)
  • Hazard Symbols
  • Synonyms 3-Thiazolidineaceticacid, 5-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thioxo- (9CI);3-Thiazolidineacetic acid,5-[2-(3-ethyl-2-benzothiazolinylidene)ethylidene]-4-oxo-2-thioxo- (8CI);3-Carboxymethyl-5-[(3-ethyl-2-benzothiazolinylidene)ethylidene]rhodanine;3-Carboxymethyl-5-[2-(3-ethylbenzothiazoline)dimethine]rhodanine;3-Carboxymethyl-5-[b-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]rhodanine;G 1875;M 8;M 8(dye);Merocyanine MC 2;NK 2045;
  • PSA 148.17000
  • LogP 2.55100

[5-[2-(3-Ethyl-3H-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-yl]acetic acid Specification

This chemical is called [5-[2-(3-Ethyl-3H-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-yl]acetic acid, and it can also be named as 3-Thiazolidineacetic acid, 5-((3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-2-thioxo. With the molecular formula of C16H14N2O3S3, its molecular weight is 378.48. The CAS registry number of this chemical is 25962-03-2.

Other characteristics of the [5-[2-(3-Ethyl-3H-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-yl]acetic acid can be summarised as followings: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -2.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 132.54 Å2; (13)Index of Refraction: 1.784; (14)Molar Refractivity: 101 cm3; (15)Molar Volume: 239.6 cm3; (16)Polarizability: 40.04×10-24cm3; (17)Surface Tension: 92.3 dyne/cm; (18)Density: 1.57 g/cm3; (19)Flash Point: 254.5 °C; (20)Enthalpy of Vaporization: 80.58 kJ/mol; (21)Boiling Point: 497.3 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1N(C(=S)S/C1=C\C=C3\Sc2ccccc2N3CC)CC(=O)O
2.InChI: InChI=1/C16H14N2O3S3/c1-2-17-10-5-3-4-6-11(10)23-13(17)8-7-12-15(21)18(9-14(19)20)16(22)24-12/h3-8H,2,9H2,1H3,(H,19,20)/b12-7-,13-8+
3.InChIKey: NVXMOCINNAPHSD-HAKHBUOSBN

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