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2444-49-7

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Basic Information
CAS No.: 2444-49-7
Name: diallyl tetrasulphide
Article Data: 8
Molecular Structure:
Molecular Structure of 2444-49-7 (diallyl tetrasulphide)
Formula: C6H10S4
Molecular Weight: 210.409
Synonyms: Allyltetrasulfide (7CI);Tetrasulfide, di-2-propenyl (9CI);Tetrasulfide, diallyl(8CI);Diallyl tetrasulfide;ICD 1585;
EINECS: 219-485-7
Density: 1.211 g/cm3
Boiling Point: 279.2 °C at 760 mmHg
Flash Point: 120.9 °C
PSA: 101.20000
LogP: 4.03620
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Synthetic route
107-05-1

3-chloroprop-1-ene

A

2050-87-5

diallyl trisulfide

B

2444-49-7

diallyl tetrasulfide

Conditions
ConditionsYield
With sulfur; potassium hydroxide; water In tetrahydrofuran for 2h; Ambient temperature;A 30%
B 10%
870-23-5

prop-2-ene-1-thiol

2444-49-7

diallyl tetrasulfide

Conditions
ConditionsYield
With diethyl ether; sodium ethanolate beim Behandeln anschliessend mit Dischwefeldichlorid in Petrolaether;
2179-57-9

diallyl disulphide

A

62488-53-3

3-vinyl-4H-<1,2>-dithiin

B

592-88-1

diallyl sulphide

C

2050-87-5

diallyl trisulfide

D

2444-49-7

diallyl tetrasulfide

Conditions
ConditionsYield
at 50℃; for 168h; Further byproducts given;A 0.7 % Chromat.
B 3 % Chromat.
C 9.7 % Chromat.
D 0.47 % Chromat.
...Expand
2179-57-9

diallyl disulphide

A

592-88-1

diallyl sulphide

B

2050-87-5

diallyl trisulfide

C

2444-49-7

diallyl tetrasulfide

D

820-30-4

5-methyl-4,7-dithiadeca-1,9-diene

Conditions
ConditionsYield
at 80℃; for 240h; Further byproducts given;A 20 % Chromat.
B 18 % Chromat.
C 5.5 % Chromat.
D 0.45 % Chromat.
...Expand
2179-57-9

diallyl disulphide

A

592-88-1

diallyl sulphide

B

2050-87-5

diallyl trisulfide

C

2444-49-7

diallyl tetrasulfide

D

80028-57-5

2‐ethenyl‐4H‐1,3‐dithiine

Conditions
ConditionsYield
at 50℃; for 168h; Further byproducts given;A 3 % Chromat.
B 9.7 % Chromat.
C 0.47 % Chromat.
D 0.3 % Chromat.
...Expand
2179-57-9

diallyl disulphide

A

592-88-1

diallyl sulphide

B

2050-87-5

diallyl trisulfide

C

2444-49-7

diallyl tetrasulfide

D

4-methyl-1,2,3-trithiolane

Conditions
ConditionsYield
at 80℃; for 240h; Further byproducts given;A 20 % Chromat.
B 18 % Chromat.
C 5.5 % Chromat.
D 0.68 % Chromat.
...Expand
2179-57-9

diallyl disulphide

A

592-88-1

diallyl sulphide

B

2050-87-5

diallyl trisulfide

C

2444-49-7

diallyl tetrasulfide

D

5-methyl-1,2,3,4-tetrathiane

Conditions
ConditionsYield
at 80℃; for 240h; Further byproducts given;A 20 % Chromat.
B 18 % Chromat.
C 5.5 % Chromat.
D 0.42 % Chromat.
...Expand
2179-57-9

diallyl disulphide

A

592-88-1

diallyl sulphide

B

2050-87-5

diallyl trisulfide

C

2444-49-7

diallyl tetrasulfide

D

7-methyl-4,5,8-trithiaundeca-1,10-diene

Conditions
ConditionsYield
at 80℃; for 240h; Further byproducts given;A 20 % Chromat.
B 18 % Chromat.
C 5.5 % Chromat.
D 0.86 % Chromat.
...Expand
2179-57-9

diallyl disulphide

A

592-88-1

diallyl sulphide

B

2050-87-5

diallyl trisulfide

C

2444-49-7

diallyl tetrasulfide

D

7-methyl-4,5,6,9,10-pentathiatrideca-1,12-diene

Conditions
ConditionsYield
at 80℃; for 240h; Yield given. Further byproducts given;A 20 % Chromat.
B 18 % Chromat.
C 5.5 % Chromat.
D n/a
...Expand
2179-57-9

diallyl disulphide

A

592-88-1

diallyl sulphide

B

2050-87-5

diallyl trisulfide

C

2444-49-7

diallyl tetrasulfide

D

8-methyl-4,5,6,9,10-pentathiatrideca-1,12-diene

Conditions
ConditionsYield
at 80℃; for 240h; Yield given. Further byproducts given;A 20 % Chromat.
B 18 % Chromat.
C 5.5 % Chromat.
D n/a
...Expand
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Specification

The Tetrasulfide,di-2-propen-1-yl, with CAS registry number 2444-49-7, has the systematic name of diprop-2-en-1-yltetrasulfane. Besides this, it is also called Bis(2-propenyl) pertetrasulfide. And the chemical formula of this chemical is C6H10S4. What's more, its EINECS is 219-485-7.

Physical properties of Tetrasulfide,di-2-propen-1-yl: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.62; (4)ACD/LogD (pH 7.4): 5.62; (5)ACD/BCF (pH 5.5): 10930.74; (6)ACD/BCF (pH 7.4): 10930.74; (7)ACD/KOC (pH 5.5): 27067.87; (8)ACD/KOC (pH 7.4): 27067.87; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 101.2 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 61.28 cm3; (15)Molar Volume: 173.6 cm3; (16)Polarizability: 24.29×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.211 g/cm3; (19)Flash Point: 120.9 °C; (20)Enthalpy of Vaporization: 49.7 kJ/mol; (21)Boiling Point: 279.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00692 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-chloro-propene. This reaction will need reagents S8, KOH and solvent tetrahydrofuran. The reaction time is 2 hour(s). The yield is about 30%.

Tetrasulfide,di-2-propen-1-yl can be prepared by 3-chloro-propene.

You can still convert the following datas into molecular structure:
(1)SMILES: S(SSSC\C=C)C/C=C
(2)InChI: InChI=1/C6H10S4/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2
(3)InChIKey: RMKCQUWJDRTEHE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H10S4/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2
(5)Std. InChIKey: RMKCQUWJDRTEHE-UHFFFAOYSA-N