4-Thiazolidinone,5-[(3,4-dimethoxyphenyl)methylene]-2-thioxo- supplier

Name
AKOS B018327
EINECS
CAS No. 6326-74-5
Article Data2
CAS DataBase
Density 1.41 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁NO₃S₂
Boiling Point 436.4 °C at 760 mmHg
Molecular Weight 281.35
Flash Point 217.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Rhodanine,5-veratrylidene- (6CI);5-(3,4-Dimethoxybenzylidene)rhodanine;NSC 31101;
PSA 111.99000
LogP 2.03950

4-Thiazolidinone,5-[(3,4-dimethoxyphenyl)methylene]-2-thioxo- Specification

The 4-Thiazolidinone,5-[(3,4-dimethoxyphenyl)methylene]-2-thioxo-, with the CAS registry number 6326-74-5, is also known as NSC31101. This chemical's molecular formula is C₁₂H₁₁NO₃S₂ and molecular weight is 281.018035. Its IUPAC name is called 5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Physical properties of 4-Thiazolidinone,5-[(3,4-dimethoxyphenyl)methylene]-2-thioxo-: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): 1.57; (3)ACD/LogD (pH 7.4): 1.41; (4)ACD/BCF (pH 5.5): 9.18; (5)ACD/BCF (pH 7.4): 6.28; (6)ACD/KOC (pH 5.5): 169.89; (7)ACD/KOC (pH 7.4): 116.14; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.673; (12)Molar Refractivity: 74.53 cm³; (13)Molar Volume: 198.6 cm³; (14)Surface Tension: 66.8 dyne/cm; (15)Density: 1.41 g/cm³; (16)Flash Point: 217.7 °C; (17)Enthalpy of Vaporization: 69.28 kJ/mol; (18)Boiling Point: 436.4 °C at 760 mmHg; (19)Vapour Pressure: 8.12E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)S2)OC
(2)InChI: InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)
(3)InChIKey: XVAIHVYMCLRIOV-UHFFFAOYSA-N

Product Name

AKOS B018327

4-Thiazolidinone,5-[(3,4-dimethoxyphenyl)methylene]-2-thioxo- Specification

Related Products

Hot Products