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Thiopropionamide

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Name

Thiopropionamide

EINECS 678-504-0
CAS No. 631-58-3 Density 1.028 g/cm3
PSA 58.11000 LogP 1.38280
Solubility Practically insoluble in water Melting Point 40°C
Formula C3H7NS Boiling Point 133.9 °C at 760 mmHg
Molecular Weight 89.1613 Flash Point 34.8 °C
Transport Information N/A Appearance Solid
Safety 22-36/37/39 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 631-58-3 (Thiopropionamide) Hazard Symbols Xn
Synonyms

Propionamide,thio- (6CI,7CI,8CI);NSC 400115;Thiopropionamide;

Article Data 22

Thiopropionamide Synthetic route

107-12-0

propiononitrile

631-58-3

thiopropanamide

Conditions
ConditionsYield
Stage #1: propiononitrile With calcium hydride; tiolacetic acid at 80℃; for 1h;
Stage #2: With water In ethyl acetate at 20℃;
84%
With diphenylphosphinodithioic acid In isopropyl alcohol at 40 - 60℃;83%
With sodium hydrogensulfide; diethyl amine hydrochloride In 1,4-dioxane; water at 55℃; for 48h;76%
With hexamethyldisilathiane; sodium methylate In various solvent(s) at 20℃; for 4h;40%
With ethanol; hydrogen sulfide; sodium disulfide at 38℃; under 760 Torr;
79-05-0

Propionamid

631-58-3

thiopropanamide

Conditions
ConditionsYield
With Lawessons reagent In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere;61%
With diphosphorus pentasulfide; benzene
With diphosphorus pentasulfide In diethyl ether at 20℃; for 2h;
With Lawessons reagent In tetrahydrofuran at 20℃; for 0.5h;
5415-95-2

methyl dithiopropionate

631-58-3

thiopropanamide

Conditions
ConditionsYield
With ammonia In N,N-dimethyl-formamide; toluene at 20℃; for 48h; Substitution;42%
409110-06-1

thiopropionimidic acid ethyl ester

631-58-3

thiopropanamide

Conditions
ConditionsYield
With diethyl ether; hydrogen sulfide
84764-73-8

N,N-diethyl-propionamidine

631-58-3

thiopropanamide

Conditions
ConditionsYield
With pyridine; hydrogen sulfide
66365-41-1

triphenylphosphine thiocyanogen

925-90-6

ethylmagnesium bromide

631-58-3

thiopropanamide

64-17-5

ethanol

7783-06-4

hydrogen sulfide

107-12-0

propiononitrile

sodium disulfide

sodium disulfide

631-58-3

thiopropanamide

Conditions
ConditionsYield
at 38℃;
64-17-5

ethanol

7783-06-4

hydrogen sulfide

141-52-6

sodium ethanolate

107-12-0

propiononitrile

sodium disulfide

sodium disulfide

631-58-3

thiopropanamide

Conditions
ConditionsYield
at 60.6℃; under 1330 Torr; Geschwindigkeit;
60-29-7

diethyl ether

409110-06-1

thiopropionimidic acid ethyl ester

7783-06-4

hydrogen sulfide

631-58-3

thiopropanamide

631-58-3

thiopropanamide

5-bromo-azepan-4-one hydrobromide

1443256-57-2

2-ethyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine hydrobromide

Conditions
ConditionsYield
With ethanol for 3h; Reflux;100%
In ethanol for 3h; Reflux;0.39 g

Thiopropionamide Specification

The Thiopropionamide with the cas number 631-58-3 is also called Propionamide,thio- (6CI,7CI,8CI). Both the systematic name and IUPAC name are propanethioamide. Its molecular formula is C3H7NS. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.46; (8)ACD/KOC (pH 7.4): 33.47; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.33 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 26.77 cm3; (15)Molar Volume: 86.7 cm3; (16)Polarizability: 10.61×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Enthalpy of Vaporization: 37.14 kJ/mol; (19)Vapour Pressure: 8.28 mmHg at 25°C.

Preparation: This chemical can be prepared by propionitrile. This reaction needs reagent diphenylphosphinodithioic acid and solvent propan-2-ol at temperature of 40-60 °C. The yield is 83%.

Uses: This chemical can react with 2-chloro-3-oxo-valeric acid ethyl ester to product 2,4-diethyl-thiazole-5-carboxylic acid ethyl ester. This reaction needs solvent ethanol at temperature of 20 °C. The yield is 86%. This reaction is Condensation.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Then you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(N)CC
(2)InChI: InChI=1/C3H7NS/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
(3)InChIKey: WPZSAUFQHYFIPG-UHFFFAOYAN

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