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10591-85-2

Basic Information
CAS No.: 10591-85-2
Name: Tetrabenzylthiuramdisulfide
Article Data: 16
Cas Database
Molecular Structure:
Molecular Structure of 10591-85-2 (Tetrabenzylthiuramdisulfide)
Formula: C30H28N2S4
Molecular Weight: 544.83
Synonyms: Disulfide,bis(dibenzylthiocarbamoyl) (8CI);Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2),tetrakis(phenylmethyl)- (9CI);Accel TBZT;Accel TBZTD;Benzyl Tuex;Cure-riteTBzD;N,N,N',N'-Tetrabenzylthiuram disulfide;NSC 608475;Nocceler TBzTD;Perkacit TBzTD;Sanceler TBzTD;Tetrabenzylthiuram disulfide;
EINECS: 404-310-0
Density: 1.288 g/cm3
Melting Point: 124 °C
Boiling Point: 687 °C at 760 mmHg
Flash Point: 369.3 °C
Solubility: N/A
Appearance: Light yellow powder(granule)
Hazard Symbols: R53:;
Risk Codes: 53
Safety: 61
Transport Information: N/A
PSA: 121.26000
LogP: 8.34240
Synthetic route
75-15-0

carbon disulfide

103-49-1

dibenzylamine

10591-85-2

bis(dibenzylthiocarbamoyl)disulfide

Conditions
ConditionsYield
Stage #1: carbon disulfide; dibenzylamine In water at 20 - 30℃; for 3h;
Stage #2: With dihydrogen peroxide for 1h; Reagent/catalyst; Temperature; Solvent; Reflux;
99.91%
Stage #1: carbon disulfide; dibenzylamine With haematoxylin In ethanol at 30 - 40℃; for 0.833333h;
Stage #2: In ethanol for 0.833333h; Reagent/catalyst; Solvent; Temperature; Irradiation;
98.51%
at 0 - 70℃; Temperature; Concentration;96.8%
99-22-9

N,N-dibenzyl dithiocarbamate

10591-85-2

bis(dibenzylthiocarbamoyl)disulfide

Conditions
ConditionsYield
With oxygen In water at 20 - 30℃; under 750.075 Torr; for 0.666667h; Pressure; Flow reactor;99.9%
75-15-0

carbon disulfide

100-46-9

benzylamine

10591-85-2

bis(dibenzylthiocarbamoyl)disulfide

Conditions
ConditionsYield
With dihydrogen peroxide; sodium hydroxide at 35 - 40℃; for 3h;98.5%

dibenzyldithiocarbamate anion

10591-85-2

bis(dibenzylthiocarbamoyl)disulfide

Conditions
ConditionsYield
With sulfuric acid In dimethyl sulfoxide at 50℃; Temperature; Reagent/catalyst;97.3%
With sodium nitrate; hexacyanoferrate(III) In water; acetone at 25℃; Equilibrium constant; Rate constant; ΔH(excit.), ΔS(excit.), var. metal complexes and salts;
55310-46-8

sodium dibenzyldithiocarbamate

C18H19NOS4

A

10591-85-2

bis(dibenzylthiocarbamoyl)disulfide

B

140-90-9

sodium O-ethyl dithiocarbonate

Conditions
ConditionsYield
With sodium nitrate; C8MoN8(3-)*3Na(1+) In water; acetone at 25℃; Equilibrium constant; μ 0.2 mol/l;
55310-46-8

sodium dibenzyldithiocarbamate

C22H28N2S4

A

10591-85-2

bis(dibenzylthiocarbamoyl)disulfide

B

4092-82-4

sodium N,N'-diisopropyldithiocarbamate

Conditions
ConditionsYield
With sodium nitrate; potassium hexacyanoferrate(III) In water; acetone at 25℃; Rate constant; Equilibrium constant; μ 0.2 mol/l;

dibenzyldithiocarbamate radical

10591-85-2

bis(dibenzylthiocarbamoyl)disulfide

Conditions
ConditionsYield
With sodium nitrate In water; acetone at 25℃; Equilibrium constant;
1528-72-9

N,N-iminodiethanoldithiocarbamic acid

hexacyanoferrate(III)

A

10591-85-2

bis(dibenzylthiocarbamoyl)disulfide

B

hexacyanoferrate(II)

Conditions
ConditionsYield
With sodium nitrate In water; acetone Kinetics; Electrochem. Process; 25°C, different acetone/H2O mixtures (30, 40, 50, 80, 90% acetone);
With sodium nitrate In water Kinetics; Electrochem. Process; 25°C;

octacyanomolybdate(V)

99-22-9

N,N-dibenzyl dithiocarbamate

A

octacyanomolybdate(IV) ion

B

10591-85-2

bis(dibenzylthiocarbamoyl)disulfide

Conditions
ConditionsYield
With sodium nitrate In dimethyl sulfoxide Electrochem. Process; 25°C, 30% aq.acetone;
With sodium nitrate In water; acetone Kinetics; Electrochem. Process; 25°C, 30% aq.acetone, at different ph (9-12);
99-22-9

N,N-dibenzyl dithiocarbamate

hexacyanoferrate(III)

A

10591-85-2

bis(dibenzylthiocarbamoyl)disulfide

B

hexacyanoferrate(II)

Conditions
ConditionsYield
With sodium nitrate In water; acetone Kinetics; Electrochem. Process; 25°C, 30% aq.acetone, at different pH (9-12);
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Specification

The CAS registry number of Tetrabenzylthiuramdisulfide is 10591-85-2. The systematic name is 1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilodimethanediyl)]tetrabenzene. In addition, the molecular formula is C30H28N2S4 and the molecular weight is 544.82. What's more, it should be stored in sealed container, and put them in a cool and dry place. It can be used in organic synthesis.

Physical properties about Tetrabenzylthiuramdisulfide are: (1)ACD/LogP: 8.77; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 2; (4)#Freely Rotating Bonds: 11; (5)Polar Surface Area: 121.26 Å2; (6)Index of Refraction: 1.713; (7)Molar Refractivity: 165.81 cm3; (8)Molar Volume: 422.8 cm3; (9)Polarizability: 65.73 ×10-24cm3; (10)Surface Tension: 66 dyne/cm; (11)Density: 1.288 g/cm3; (12)Flash Point: 369.3 °C; (13)Enthalpy of Vaporization: 100.72 kJ/mol; (14)Boiling Point: 687 °C at 760 mmHg; (15)Vapour Pressure: 1E-18 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemcal may cause long-term adverse effects in the aquatic environment. You should avoid release to the environment. In addition, you can refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(SSC(=S)N(Cc1ccccc1)Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4
(2)InChI: InChI=1/C30H28N2S4/c33-29(31(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35-36-30(34)32(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
(3)InChIKey: WITDFSFZHZYQHB-UHFFFAOYAS