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Thioperoxydicarbonicdiamide ([(H2N)C(S)]2S2), N,N,N',N'-tetrakis(2-methylpropyl)- (3064-73-1)

Identification
Name:Thioperoxydicarbonicdiamide ([(H2N)C(S)]2S2), N,N,N',N'-tetrakis(2-methylpropyl)-
Synonyms:Disulfide,bis(diisobutylthiocarbamoyl) (6CI,7CI,8CI);Thioperoxydicarbonic diamide([(H2N)C(S)]2S2), tetrakis(2-methylpropyl)- (9CI);Bis(diisobutylthiocarbamoyl)disulfide;Isobutyl Tuads;N,N,N',N'-Tetraisobutylthiuramdisulfide;Tetraisobutylthiuram disulfide;
CAS:3064-73-1
EINECS: 221-312-5
Molecular Formula: C18H36N2S4
Molecular Weight: 408.75184
InChI: InChI=1S/C18H36N2S4/c1-13(2)9-19(10-14(3)4)17(21)23-24-18(22)20(11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3
Molecular Structure: (C18H36N2S4) Disulfide,bis(diisobutylthiocarbamoyl) (6CI,7CI,8CI);Thioperoxydicarbonic diamide([(H2N)C(S)]2S2), t...
Properties
Density:1.076g/cm3
Refractive index:1.563
Water Solubility:Soluble in benzene, acetone, dichloroethane, carbon disulfide, toluene, chloroform, slightly soluble in alcohol and ether, insoluble in gasoline and water
Solubility:Soluble in benzene, acetone, dichloroethane, carbon disulfide, toluene, chloroform, slightly soluble in alcohol and ether, insoluble in gasoline and water
Appearance:Light yellow crystal grain
Specification:

The IUPAC name of Diisobutylthiuram disulfide is bis(2-methylpropyl)carbamothioylsulfanyl N,N-bis(2-methylpropyl)arbamodithioate . With the CAS registry number 3064-73-1, it is also named as Tetra(isobutyl)thioperoxydicarbamic acid ; Thioperoxydicarbonic diamide (((H2N)C(S))2S2), N,N,N',N'-tetrakis(2-methylpropyl)- ; 1,1',1'',1'''-[Disulfanediylbis(carbonothioylnitrilo)]tetrakis(2-methylpropane) .

The Diisobutylthiuram disulfide is light yellow crystal grain which is soluble in benzene , acetone , dichloroethane , carbon disulfide , toluene , chloroform , slightly soluble in alcohol and ether , and insoluble in gasoline and water. It is used as speed accelerator and does not have the property of rubber dyeing. It is applicable to NR, IR, BR, SBR, NBR and EPDM.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 7.40 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 7.39 ; (4)ACD/LogD (pH 7.4): 7.39 ; (5)ACD/BCF (pH 5.5): 245565.97 ; (6)ACD/BCF (pH 7.4): 245571.91 ; (7)ACD/KOC (pH 5.5): 251104.31 ; (8)ACD/KOC (pH 7.4): 251110.39 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 11 ; (12)Index of Refraction: 1.563 ; (13)Molar Refractivity: 123.29 cm3 ; (14)Molar Volume: 379.5 cm3 ; (15)Polarizability: 48.87 10-24cm3 ; (16)Surface Tension: 45 dyne/cm ; (17)Enthalpy of Vaporization: 72.4 kJ/mol ; (18)Vapour Pressure: 9.5E-09 mmHg at 25°C ; (19)Rotatable Bond Count: 11 ; (20)Exact Mass: 408.176132 ; (21)MonoIsotopic Mass: 408.176132 ; (22)Topological Polar Surface Area: 121 ; (23)Heavy Atom Count: 24.

People can use the following data to convert to the molecule structure. SMILES: S=C(SSC(=S)N(CC(C)C)CC(C)C)N(CC(C)C)CC(C)C; InChI:
InChI=1/C18H36N2S4/c1-13(2)9-19(10-14(3)4)17(21)23-24-18(22)20(11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3. Diisobutylthiuram disulfide has many suppliers, such as Hebi Shancheng Kangbo Lianhe Rubber Chemical Plant, Linkwell Rubber Chemicals Co., Ltd., Ningbo BlueHill Chemicals Co., Ltd. and Puyang Willing Chemical Co., Ltd..

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