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141-84-4

141-84-4 structural image
Product Name: Rhodanine
Formula: C3H3NOS2
Synonyms: 2-Thioxo-4-thiazolidinone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Rhodanine appears as light yellow crystals. Density 0.868 g / cm3. Melting point 168.5 °C. May explode on rapid heating.
Color/Form PALE YELLOW CRYSTALS (LONG BLADES) FROM GLACIAL ACETIC ACID OR WATER
Melting Point 335.3 °F (NTP, 1992)
Solubility >20 [ug/mL] (The mean of the results at pH 7.4)
Density 0.868 (NTP, 1992) - Less dense than water; will float
Decomposition DANGEROUS; WHEN HEATED TO DECOMPOSITION, IT EMITS HIGHLY TOXIC FUMES OF /NITROGEN OXIDES AND SULFUR OXIDES/.
Dissociation Constants K AT 25 °C: 3X10-6
Chemical Classes Other Classes -> Other Organic Compounds

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 133.20 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 132.96560607 g/mol
Monoisotopic Mass 132.96560607 g/mol
Topological Polar Surface Area 86.5 Ų
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

PRODUCT INTRODUCTION

description

Rhodanine appears as light yellow crystals. Density 0.868 g / cm3. Melting point 168.5 °C. May explode on rapid heating.