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Product No: AA6999

2,4-Thiazolidinedione, 98%

Name: 2,4-Thiazolidinedione
Brand: Chempure

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CAS Number

2295-31-0

Molecular Weight

117.13

Formula

C3H3NO2S

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About this item

IUPAC name	1,3-thiazolidine-2,4-dione
canonical smiles	C1C(=O)NC(=O)S1
inchi	InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
inchi key	ZOBPZXTWZATXDG-UHFFFAOYSA-N
molecular formula	C3H3NO2S
synonyms	2,4-THIAZOLIDINEDIONE 2295-31-0 1,3-Thiazolidine-2,4-dione Thiazolidinedione thiazolidine-2,4-dione
Compound Description	1,3-thiazolidine-2,4-dione is a thiazolidenedione carrying oxo substituents at positions 2 and 4. It derives from a hydride of a 1,3-thiazolidine. Thiazolidinedione has been investigated for the treatment of Type 2 Diabetes, Diabetes Mellitus, and DIABETES MELLITUS, TYPE 2.

Computed Properties

Molecular Weight:	117.13 g/mol
XLogP3:	0.1
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	116.98844951 g/mol
Monoisotopic Mass:	116.98844951 g/mol
Topological Polar Surface Area:	71.5 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	122
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Methylpyrrolidone

Fluorouracil

Methimazole

2-Thiouracil

Ethylene thiourea

gamma-Butyrolactone

2-Pyrrolidinone

Cyclopentanone

Uracil

Propiolactone

5-Chloro-2-methyl-4-isothiazolin-3-one

2-Cyclohexen-1-one

2-Imidazolidone

Cyclohexanone

gamma-Valerolactone

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (63.64%) Skin Irrit. 2 (36.36%) Eye Irrit. 2A (36.36%) STOT SE 3 (54.55%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (63.64%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (36.36%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (36.36%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (54.55%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1,3-thiazolidine-2,4-dione
canonical smiles	C1C(=O)NC(=O)S1
inchi	InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
inchi key	ZOBPZXTWZATXDG-UHFFFAOYSA-N
molecular formula	C3H3NO2S
synonyms	2,4-THIAZOLIDINEDIONE 2295-31-0 1,3-Thiazolidine-2,4-dione Thiazolidinedione thiazolidine-2,4-dione
Compound Description	1,3-thiazolidine-2,4-dione is a thiazolidenedione carrying oxo substituents at positions 2 and 4. It derives from a hydride of a 1,3-thiazolidine. Thiazolidinedione has been investigated for the treatment of Type 2 Diabetes, Diabetes Mellitus, and DIABETES MELLITUS, TYPE 2.

Computed Properties

Molecular Weight:	117.13 g/mol
XLogP3:	0.1
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	116.98844951 g/mol
Monoisotopic Mass:	116.98844951 g/mol
Topological Polar Surface Area:	71.5 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	122
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Methylpyrrolidone

Fluorouracil

Methimazole

2-Thiouracil

Ethylene thiourea

gamma-Butyrolactone

2-Pyrrolidinone

Cyclopentanone

Uracil

Propiolactone

5-Chloro-2-methyl-4-isothiazolin-3-one

2-Cyclohexen-1-one

2-Imidazolidone

Cyclohexanone

gamma-Valerolactone

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (63.64%) Skin Irrit. 2 (36.36%) Eye Irrit. 2A (36.36%) STOT SE 3 (54.55%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (63.64%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (36.36%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (36.36%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (54.55%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AA6999

2,4-Thiazolidinedione, 98%

Product No: AA6999

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6999

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?