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Basic information

  • Name:
  • 3-Thiazolidineaceticacid, 4-oxo-2-thioxo-

  • Superlist Name:
  • Rhodanine-3-acetic acid
  • CAS No.:
  • 5718-83-2

  • Molecular Structure:
  • Formula:
  • C5H5NO3S2
  • Molecular Weight:
  • 191.22
  • Synonyms:
  • (4-Oxo-2-thioxo-1,3-thiazolidin-3-yl)aceticacid;(4-Oxo-2-thioxothiazolidin-3-yl)acetic acid;3-(Carboxymethyl)rhodanine;3-Rhodanineacetic acid;4-Oxo-2-thioxothiazolidine-3-acetic acid;N-(Carboxymethyl)rhodanine;NSC 40450;Rhodanine-N-acetic acid;
  • EINECS:
  • 227-220-1
  • Density:
  • 1.72 g/cm3
  • Melting Point:
  • 145-148 °C(lit.)
  • Boiling Point:
  • 375.4 °C at 760 mmHg
  • Flash Point:
  • 180.8 °C
  • Appearance:
  • pale yellow fine crystaline powder
  • Hazard Symbols:
  • IrritantXi
  • Risk Codes:
  • 36/37/38-41
  • Safety Description:
  • 26-36-39-25 Details

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Chemistry

IUPAC Name: 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid 
Empirical Formula: C5H5NO3S2
Molecular Weight: 191.2281g/mol
EINECS: 227-220-1 
Structure of 3-Thiazolidineaceticacid, 4-oxo-2-thioxo- (CAS NO.5718-83-2):

Index of Refraction: 1.723
Molar Refractivity: 43.92 cm3
Molar Volume: 110.7 cm3
Polarizability: 17.41×10-24cm3
Surface Tension: 103.4 dyne/cm
Density: 1.72 g/cm3
Flash Point: 180.8 °C
Enthalpy of Vaporization: 68.39 kJ/mol 
Melting Point: 145-148 °C(lit.)
Boiling Point: 375.4 °C at 760 mmHg
Vapour Pressure: 1.14E-06 mmHg at 25°C 
Physical Appearance: PALE YELLOW FINE CRYSTALINE POWDER
Product Categories: Heterocycles;Acetics acid and esters 
Canonical SMILES: C1C(=O)N(C(=S)S1)CC(=O)O
InChI: InChI=1S/C5H5NO3S2/c7-3-2-11-5(10)6(3)1-4(8)9/h1-2H2,(H,8,9)
InChIKey: JGRMXPSUZIYDRR-UHFFFAOYSA-N

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38-41
R36/37/38:Irritating to eyes, respiratory system and skin. 
R41:Risk of serious damage to the eyes.
Safety Statements: 26-36-39-25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S39:Wear eye / face protection. 
S25:Avoid contact with eyes.
WGK Germany: 3
F: 10-23
HS Code: 29341000

Specification

  3-Thiazolidineaceticacid, 4-oxo-2-thioxo- , its cas register number is 5718-83-2. It also can be called 3-(Carboxymethyl)rhodanine ; 3-Rhodanineacetic acid ; 4-Oxo-2-thioxo-3-thiazolidineacetic acid ; EINECS 227-220-1 ; N-(Carboxymethyl)rhodanine ; NSC 40450 ; Rhodanine-N-acetic acid . 3-Thiazolidineaceticacid, 4-oxo-2-thioxo- (CAS NO.5718-83-2) is irritating to eyes, respiratory system and skin. And it's risk of serious damage to the eyes.

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