ChemicalBook--->CAS DataBase List--->98169-56-3

98169-56-3

98169-56-3 Structure

98169-56-3 Structure
IdentificationBack Directory
[Name]

(4R)-(-)-2-THIOXO-4-THIAZOLIDINECARBOXYLIC ACID
[CAS]

98169-56-3
[Synonyms]

RAPHANUSAMIC ACID
R(-)-2-THIOXOTHIAZOLIDINE-4-CARBOXYLIC &
R(-)-2-THIOXOTHIAZOLIDINE-4-CARBOXYLIC ACID
(4R)-(-)-2-THIAZOLIDINTHION-4-CARBOXYLIC ACID
(R)-(-)-2-THIOXO-4-THIAZOLIDINECARBOXYLIC ACID
(4R)-(-)-2-THIOXO-4-THIAZOLIDINECARBOXYLIC ACID
(4r)-(-)-2-thiazolidinethione-4-carboxylic acid
(R)-(-)-Thiazolidine-2-thione-4-carboxylic acid
4-Thiazolidinecarboxylic acid, 2-thioxo-, (4R)-
(4R)-2-Thioxo-1,3-thiazolidine-4-carboxylic acid
(4R)-(-)-2-Thioxo-4-thiazolidinecarboxylic acid 99%
(4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
(R)-(-)-2-Thioxo-4-thiazolidinecarboxylic acid, Raphanusamic acid
[Molecular Formula]

C4H5NO2S2
[MDL Number]

MFCD00074854
[MOL File]

98169-56-3.mol
[Molecular Weight]

163.22
Chemical PropertiesBack Directory
[Melting point ]

179-181 °C (lit.)
[Boiling point ]

359.4±52.0 °C(Predicted)
[density ]

1.65±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

2.61±0.20(Predicted)
[color ]

Pale Yellow
[Optical Rotation]

[α]29/D 86°, c = 2.5 in 0.5 M HCl
[BRN ]

82632
[Major Application]

peptide synthesis
[InChI]

1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
[InChIKey]

SQUOCHQOQMZGQP-REOHCLBHSA-N
[SMILES]

OC(=O)[C@@H]1CSC(=S)N1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

A metabolite of Carbon Disulfide.
[Definition]

ChEBI: Raphanusamic acid is a thiazolidinemonocarboxylic acid that is 2-thioxo-1,3-thiazolidine with the carboxy group located at position 4 (the R-enantiomer). It has a role as an Arabidopsis thaliana metabolite, a mouse metabolite and a xenobiotic metabolite.
[reaction suitability]

reaction type: solution phase peptide synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

(4R)-(-)-2-THIOXO-4-THIAZOLIDINECARBOXYLIC ACID(98169-56-3)1HNMR
(4R)-(-)-2-THIOXO-4-THIAZOLIDINECARBOXYLIC ACID(98169-56-3)Raman
(4R)-(-)-2-THIOXO-4-THIAZOLIDINECARBOXYLIC ACID(98169-56-3)FT-IR
(4R)-(-)-2-THIOXO-4-THIAZOLIDINECARBOXYLIC ACID(98169-56-3)IR
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