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N-Aminorhodanine

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Name

N-Aminorhodanine

EINECS 215-870-9
CAS No. 1438-16-0 Density 1.71 g/cm3
PSA 103.72000 LogP 0.35860
Solubility insoluble in ethanol and ether Melting Point 100-103 °C(lit.)
Formula C3H4N2OS2 Boiling Point 268.2 °C at 760 mmHg
Molecular Weight 148.21 Flash Point 116 °C
Transport Information UN 2811 Appearance yellowish crystalline powder
Safety 22-28-36/37/39-45 Risk Codes 24-28
Molecular Structure Molecular Structure of 1438-16-0 (N-Aminorhodanine) Hazard Symbols VeryT+
Synonyms

Rhodanine,3-amino- (6CI,7CI,8CI);3-Amino-2-thioxo-1,3-thiazolidin-4-one;3-Amino-2-thioxo-4-thiazolidinone;3-Aminorhodanine;N-Aminorhodanine;NSC23272;

Article Data 9

N-Aminorhodanine Synthetic route

6326-83-6

bis(carboxymethyl)trithiocarbonate

1438-16-0

3-aminorhodanine

Conditions
ConditionsYield
With water; sodium carbonate; hydrazinium sulfate
471-32-9

dithiocarbonic acid hydrazide

105-39-5

chloroacetic acid ethyl ester

1438-16-0

3-aminorhodanine

Conditions
ConditionsYield
Umsetzung des Reaktionsprodukts;
20469-71-0

dithiocarbonic acid hydrazide, hydrazonium salt

79-11-8

chloroacetic acid

1438-16-0

3-aminorhodanine

Conditions
ConditionsYield
In water
105-39-5

chloroacetic acid ethyl ester

dithiocarbazinate of hydrazine

dithiocarbazinate of hydrazine

1438-16-0

3-aminorhodanine

Conditions
ConditionsYield
With ethanol
3926-62-3

sodium monochloroacetic acid

hydrazine salt of/the/ dithiocarbazic acid

hydrazine salt of/the/ dithiocarbazic acid

1438-16-0

3-aminorhodanine

Conditions
ConditionsYield
With water anschliessendes Behandeln mit wss. HCl;
3926-62-3

sodium monochloroacetic acid

potassium-salt of/the/ dithiocarbazic acid

potassium-salt of/the/ dithiocarbazic acid

1438-16-0

3-aminorhodanine

Conditions
ConditionsYield
With water anschliessendes Behandeln mit wss. HCl;
471-32-9

dithiocarbonic acid hydrazide

3926-62-3

sodium monochloroacetic acid

1438-16-0

3-aminorhodanine

Conditions
ConditionsYield
Reaktion des Kalium-Salzes oder des Hydrazinium-Salzes; anschliessenden Behandeln mit wss.Salzsaeure;

3-[2-Methyl-prop-(E)-ylideneamino]-2-thioxo-thiazolidin-4-one

A

1438-16-0

3-aminorhodanine

B

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
In phosphate buffer; water-d2 pH=7; Equilibrium constant;

4-{[(E)-4-Oxo-2-thioxo-thiazolidin-3-ylimino]-methyl}-benzoic acid

A

1438-16-0

3-aminorhodanine

B

619-66-9

4-Carboxybenzaldehyde

Conditions
ConditionsYield
In phosphate buffer; water-d2 pH=7; Equilibrium constant;
1438-16-0

3-aminorhodanine

100-07-2

4-methoxy-benzoyl chloride

82220-84-6

4-methoxy-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide

Conditions
ConditionsYield
In benzene for 3h; Heating;96%

N-Aminorhodanine Specification

This chemical is called N-Aminorhodanine, and its systematic name is 3-amino-2-thioxo-1,3-thiazolidin-4-one. With the molecular formula of C3H4N2OS2, its molecular weight is 148.21. The CAS registry number of this chemical is 1438-16-0, and its product categories are Miscellaneous; Building Blocks; Heterocyclic Building Blocks; Thiazoles.

Other characteristics of the N-Aminorhodanine can be summarised as followings: (1)ACD/LogP: -0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.69; (4)ACD/LogD (pH 7.4): -0.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.07; (8)ACD/KOC (pH 7.4): 10.07; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 80.94 Å2; (13)Index of Refraction: 1.788; (14)Molar Refractivity: 36.63 cm3; (15)Molar Volume: 86.6 cm3; (16)Polarizability: 14.52×10-24cm3; (17)Surface Tension: 110.4 dyne/cm; (18)Density: 1.71 g/cm3; (19)Flash Point: 116 °C; (20)Enthalpy of Vaporization: 50.63 kJ/mol; (21)Boiling Point: 268.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0078 mmHg at 25°C.

Uses of this chemical: The N-Aminorhodaninecould react with 3-amino-2-thioxo-thiazolidin-4-one, and obtain the 4-nitro-benzoic acid-(4-oxo-2-thioxo-thiazolidin-3-ylamide). This reaction need the solvent of benzene. The yield is 90 %. In additon, this reaction should be taken for 3 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is very toxic if swallowed or contacting with skin. Do not breathe vapour. After contact with skin, wash immediately with plenty of soap-suds. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
1.SMILES: O=C1N(N)C(=S)SC1
2.InChI: InChI=1/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2
3.InChIKey: ZBUUHLDYMKTVLT-UHFFFAOYAW

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