Product Name

  • Name

    5-[1-METHYL-2-(3-METHYL-2-THIAZOLIDINYLIDENE)ETHYLIDENE]-4-OXO- 2-THIOXO-3- THIAZOLIDINEACETIC ACID

  • EINECS 247-164-1
  • CAS No. 25651-76-7
  • Density 1.54 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H14N2O3S3
  • Boiling Point 469.9 °C at 760 mmHg
  • Molecular Weight 330.453
  • Flash Point 238 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 25651-76-7 (5-[1-METHYL-2-(3-METHYL-2-THIAZOLIDINYLIDENE)ETHYLIDENE]-4-OXO- 2-THIOXO-3- THIAZOLIDINEACETIC ACID)
  • Hazard Symbols
  • Synonyms 3-Carboxymethyl-5-[(3-methyl-2-thiazolidinylidene)-1-methylethylidene]rhodanine;3-Carboxymethyl-5-[(3-methyl-2-thiazolidinylidene)isopropylidene]rhodanine;3-Carboxymethyl-5-[1'-(3-methylthiazolidin-2-ylidene)prop-2'-ylidene]-2-thiothiazolid-4-one;3-Carboxymethyl-5-[2-(3-methyl-2-thiazolidinylidene)-1-methylethylidene]rhodanine;5-[1-Methyl-2-(3-methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid;
  • PSA 143.54000
  • LogP 1.60110

5-[1-Methyl-2-(3-methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid Specification

The IUPAC name of 5-[1-Methyl-2-(3-methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid is 2-[(5Z)-5-[(1E)-1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid. With the CAS registry number 25651-76-7, it is also named as 3-Thiazolidineacetic acid, 5-(1-methyl-2-(3-methyl-2-thiazolidinylidene)ethylidene)-4-oxo-2-thioxo-. In addition, its molecular formula is C12H14N2O3S3 and its molecular weight is 330.45. 

The other characteristics of 5-[1-Methyl-2-(3-methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid can be summarized as: (1)EINECS: 247-164-1; (2)ACD/LogP: 0.85; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.3; (5)ACD/LogD (pH 7.4): -2.55; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 5; (11)H bond donors: 1; (12)Freely Rotating Bonds: 3; (13)Polar Surface Area: 132.54 Å2; (14)Index of Refraction: 1.732; (15)Molar Refractivity: 85.33 cm3; (16)Molar Volume: 213.2 cm3; (17)Polarizability: 33.82×10-24cm3; (18)Surface Tension: 84.8 dyne/cm; (19)Density: 1.54 g/cm3; (20)Flash Point: 238 °C; (21)Enthalpy of Vaporization: 80.23 kJ/mol; (22)Boiling Point: 469.9 °C at 760 mmHg; (23)Vapour Pressure: 3.96E-10 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)CN1C(=O)C(\SC1=S)=C(\C=C2\SCCN2C)C
(2)InChI:InChI=1/C12H14N2O3S3/c1-7(5-8-13(2)3-4-19-8)10-11(17)14(6-9(15)16)12(18)20-10/h5H,3-4,6H2,1-2H3,(H,15,16)/b8-5+,10-7-
(3)InChIKey:LNKNWPNGZMWPFA-HAMFBJRIBD
(4)Std. InChI:InChI=1S/C12H14N2O3S3/c1-7(5-8-13(2)3-4-19-8)10-11(17)14(6-9(15)16)12(18)20-10/h5H,3-4,6H2,1-2H3,(H,15,16)/b8-5+,10-7-
(5)Std. InChIKey:LNKNWPNGZMWPFA-HAMFBJRISA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View