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CAS No.: | 2682-49-7 |
---|---|
Name: | 1,3-THIAZOLIDIN-2-ONE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C3H5NOS |
Molecular Weight: | 103.145 |
Synonyms: | 2-Oxothiazolidine;NSC 122613;Thiazolidin-2-one;Thiazolidone;2-Thiazolidinone HOMT;1,3-Thiazolan-2-one; |
EINECS: | 1312995-182-4 |
Density: | 1.278 g/cm3 |
Melting Point: | 53-54 °C |
Boiling Point: | 247.6 °C at 760 mmHg |
Flash Point: | 103.5 °C |
PSA: | 54.40000 |
LogP: | 0.77160 |
Conditions | Yield |
---|---|
With selenium; oxygen; acetonitrile | 98% |
Stage #1: carbon monoxide; Cysteamine With potassium carbonate; sulfur In N,N-dimethyl-formamide at 20℃; under 760 Torr; for 4h; Stage #2: With oxygen In N,N-dimethyl-formamide at 20℃; under 760 Torr; for 2h; | 87% |
Conditions | Yield |
---|---|
at 180℃; for 3h; Temperature; Time; Concentration; | 85% |
Conditions | Yield |
---|---|
With potassium hydroxide In methanol at 20℃; for 1h; | 80% |
Conditions | Yield |
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In acetonitrile at 20℃; for 1h; Sealed tube; | 78% |
2-mercaptoethylamine hydrochloride
1,1'-carbonyldiimidazole
thiazolidine-2-one
Conditions | Yield |
---|---|
Stage #1: 2-mercaptoethylamine hydrochloride; 1,1'-carbonyldiimidazole With 18-crown-6 ether; potassium carbonate In acetonitrile for 18h; Heating; Stage #2: With water In acetonitrile for 4h; Heating; Further stages.; | 68% |
In ethanol for 15h; Ambient temperature; | 63% |
Stage #1: 2-mercaptoethylamine hydrochloride; 1,1'-carbonyldiimidazole With potassium carbonate; 18-crown-6 ether In acetonitrile at 80℃; for 19h; Heating / reflux; Stage #2: With sodium carbonate In water for 1h; Heating / reflux; | 42% |
thiazolidine-2-thione
thiazolidine-2-one
Conditions | Yield |
---|---|
With sodium; 2-bromoethanol In ethanol for 4h; Inert atmosphere; Reflux; | 56% |
With sodium ethanolate; 2-bromoethanol In ethanol at 60℃; for 4h; |
Conditions | Yield |
---|---|
With sodium ethanolate In ethanol for 4h; Inert atmosphere; Reflux; | 56% |
(2-mercapto-ethyl)-carbamic acid ethyl ester
thiazolidine-2-one
Conditions | Yield |
---|---|
With hydrotalcite; magnesium aluminum In toluene for 5h; Heating; | 50% |
thiazolidine-2-one
Conditions | Yield |
---|---|
With sodium hydroxide |
S-(2-aminoethyl)-S’-benzyldithiocarbonate hydrochloride
thiazolidine-2-one
Conditions | Yield |
---|---|
With sodium hydroxide |
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The 1,3-Thiazolan-2-one, with the CAS registry number 2682-49-7, is also known as Thiazolidin-2-one. It belongs to the product categories of API intermediates; Agricultural chemical; Plant growth modifier; Fosthiazate;fungicide; Pesticide. This chemical's molecular formula is C3H5NOS and molecular weight is 103.14. What's more, its systematic name is 1,3-Thiazolidin-2-one.
Physical properties of 1,3-Thiazolan-2-one are: (1)ACD/LogP: 0.427; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.24; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 40.68; (8)ACD/KOC (pH 7.4): 40.68; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.4 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 25.476 cm3; (15)Molar Volume: 80.725 cm3; (16)Polarizability: 10.099×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.278 g/cm3; (19)Flash Point: 103.5 °C; (20)Enthalpy of Vaporization: 56.32 kJ/mol; (21)Boiling Point: 247.6 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
Preparation: this chemical can be prepared by carbon oxide sulfide and 2-bromo-ethylamine; hydrobromide at the temperature of 20 °C. This reaction will need reagent KOH and solvent methanol with the reaction time of 1 hour. The yield is about 80%.
Uses of 1,3-Thiazolan-2-one: it can be used to produce 3-(3-methyl-5-nitro-3H-imidazol-4-yl)-thiazolidin-2-one at the temperature of 15 - 100 °C. It will need reagent NaH and solvent dimethylformamide with the reaction time of 135 min. The yield is about 83%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1SCCN
(2)Std. InChI: InChI=1S/C3H5NOS/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
(3)Std. InChIKey: SLYRGJDSFOCAAI-UHFFFAOYSA-N