{(5Z)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid

Basic Information

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CAS Number

82159-09-9

Molecular Formula

C15H13NO3S2

Molecular Weight

319.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Light-red to Brown Solid

Melting Point

222.0 to 226.0 deg-C

Boiling Point

516.8°C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

266.4±32.9 °C

Solubility

DMSO: soluble5mg/mL, clear (warmed)

Refractive Index

1.705

Vapor Pressure

0.0±1.4 mmHg at 25°C

SMILES

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CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O

InChI

InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-

InChIKey

CHNUOJQWGUIOLD-NFZZJPOKSA-N

LogP

2.918700000000001

Topological Polar Surface Area

57.61 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

519

Safety Information

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GHS Hazard Pictograms

H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

SW219826-1
NCGC00164613-01
ONO2235
CHEBI:31539
NCGC00164613-08
{5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid
MFCD00865484
BDBM50049730
5-((Z,E)-.BETA.-METHYLCINNAMYLIDENE)-4-OXO-2-THIOXO-3-THIAZOLIDINEACETIC ACID
BCP9000649
Q5382029
E0906
Aldorin
AB00647195_06
s2035
82159-09-9
Ono 2235
Kinedak
2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CHEMBL56337
epalrestat
Kinedak (TN)
DTXSID1046479
UNII-424DV0807X
EPALRESTAT [MI]
SCHEMBL49049
(5-[(e)-2-methyl-3-phenyl-prop-2-en-(z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl)-acetic acid 82159-
2-((E)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
GTPL11371
Epalrestat [INN]
5-[(1Z, 2E)-2-methyl-3-phenylpropenylidene]-4-oxo2-thioxo-3-thiazolidineacetic acid

MDL Number

MFCD00865484

FAQ

What is {(5Z)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid (CAS: 82159-09-9)?

This compound, with the CAS number 82159-09-9, is a complex organic molecule containing a thiazolidine ring and a conjugated system. It has the chemical formula C21H22N2O4S2 and is characterized by its potential pharmaceutical applications due to its structural features resembling certain bioactive compounds.

What are the main uses of {(5Z)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid (CAS: 82159-09-9)?

It is primarily used in pharmaceutical research for potential therapeutic applications, including as a precursor in the synthesis of drugs targeting inflammation and oxidative stress. Its unique structure also makes it relevant in organic chemistry for studying reaction mechanisms and molecular interactions.

Is {(5Z)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid (CAS: 82159-09-9) safe?

As a chemical compound, it requires careful handling due to its potential reactivity. Safety measures include wearing appropriate protective equipment and following standard laboratory protocols. It is not recommended for direct use in consumer products without proper evaluation and regulatory approval.

How should {(5Z)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid (CAS: 82159-09-9) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is best kept in a sealed container away from moisture and light to maintain stability and prevent degradation. Always store in a well-ventilated area to avoid exposure risks.