CAS No.1438-16-0,N-Aminorhodanine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1438-16-0
Name:	N-Aminorhodanine
Article Data:	9

Formula:	C₃H₄N₂OS₂
Molecular Weight:	148.21
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;
EINECS:	215-870-9
Density:	1.71 g/cm³
Melting Point:	100-103 °C(lit.)
Boiling Point:	268.2 °C at 760 mmHg
Flash Point:	116 °C
Solubility:	insoluble in ethanol and ether
Appearance:	yellowish crystalline powder
Hazard Symbols:	T+
Risk Codes:	24-28
Safety:	22-28-36/37/39-45
Transport Information:	UN 2811
PSA:	103.72000
LogP:	0.35860

Synthetic route

: 6326-83-6
bis(carboxymethyl)trithiocarbonate

: 1438-16-0
3-aminorhodanine

Conditions

Conditions	Yield
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

Conditions	Yield
Umsetzung des Reaktionsprodukts;

: 20469-71-0
dithiocarbonic acid hydrazide, hydrazonium salt

: 79-11-8
chloroacetic acid

: 1438-16-0
3-aminorhodanine

Conditions

Conditions	Yield
In water

: 105-39-5
chloroacetic acid ethyl ester

dithiocarbazinate of hydrazine: dithiocarbazinate of hydrazine

: 1438-16-0
3-aminorhodanine

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With water anschliessendes Behandeln mit wss. HCl;

: 471-32-9
dithiocarbonic acid hydrazide

: 7732-18-5
water

: 3926-62-3
sodium monochloroacetic acid

: 1438-16-0
3-aminorhodanine

Conditions

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

...Expand

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

A: 1438-16-0
3-aminorhodanine

B: 78-84-2
isobutyraldehyde

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

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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