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2050-87-5

Basic Information
CAS No.: 2050-87-5
Name: Trisulfide,di-2-propen-1-yl
Article Data: 15
Cas Database
Molecular Structure:
Molecular Structure of 2050-87-5 (Trisulfide,di-2-propen-1-yl)
Formula: C6H10S3
Molecular Weight: 178.343
Synonyms: Allyltrisulfide (6CI,7CI,8CI);Trisulfide, di-2-propenyl (9CI);Allitride;Allitridin;Allitridum;Di(2-propenyl) trisulfide;NSC651936;
EINECS: 218-107-8
Density: 1.116 g/cm3
Melting Point: N/A
Boiling Point: 229.5 °C at 760 mmHg
Flash Point: 87.8 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: UN 2810
PSA: 75.90000
LogP: 3.38800
Synthetic route
106-95-6

allyl bromide

2050-87-5

diallyl trisulfide

Conditions
ConditionsYield
Stage #1: allyl bromide With Sodium thiosulfate pentahydrate In ethanol; water at 20℃;
Stage #2: With sodium sulfide nonahydrate In water at 0 - 20℃; for 5h;
50%
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%
107-05-1

3-chloroprop-1-ene

2050-87-5

diallyl trisulfide

Conditions
ConditionsYield
(i) Na2S2O3*5H2O, aq. EtOH, (ii) Na2S; Multistep reaction;
870-23-5

prop-2-ene-1-thiol

C3H5ClS2

2050-87-5

diallyl trisulfide

Conditions
ConditionsYield
With pyridine In diethyl ether for 0.5h; Yield given;
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.
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.
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.
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.
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.
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.
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Chemistry

Molecular Structure of Diallyl trisulfide (CAS NO.2050-87-5):

IUPAC Name: 3-(Prop-2-enyltrisulfanyl)prop-1-ene 
Molecular Formula: C6H10S3
Molecular Weight: 178.34 
EINECS: 218-107-8
FEMA: 3265 
Index of Refraction: 1.581
Molar Refractivity: 53.28 cm3
Molar Volume: 159.6 cm3
Surface Tension: 39.7 dyne/cm
Density: 1.116 g/cm3
Flash Point: 87.8 °C
Enthalpy of Vaporization: 44.71 kJ/mol
Boiling Point: 229.5 °C at 760 mmHg
Vapour Pressure: 0.105 mmHg at 25 °C
Product Categories: sulfide Flavor
Canonical SMILES: C=CCSSSCC=C
InChI: InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
InChIKey: UBAXRAHSPKWNCX-UHFFFAOYSA-N
Classification Code: Anti-Infective Agents; Antifungal agents; Antilipemic agents; Antimetabolites; Antioxidants; Antiparasitic Agents; Antiprotozoal agents; Antispermatogenic Agents; Contraceptive Agents; Contraceptive Agents, Female; Hematologic Agents; Insecticides; Noxae; Pesticides; Platelet aggregation inhibitors; Protective Agents; Reproductive Control Agents; Spermatocidal agents

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 100mg/kg (100mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Safety Profile

Safety Information of Diallyl trisulfide (CAS NO.2050-87-5):
RIDADR: 2810
HazardClass: 6.1(b)
PackingGroup: III

Specification

 Diallyl trisulfide (CAS NO.2050-87-5), its Synonyms are Di-2-propenyl trisulfide ; Trisulfide, di-2-propenyl ; Diallyl trisulphide ; Trisulfide, di-2-propenyl (9CI) ; Allyl trisulfide .