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| CAS No.: | 1634-02-2 |
|---|---|
| Name: | TETRA-N-BUTYLTHIURAM DISULFIDE |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C18H36N2S4 |
| Molecular Weight: | 408.761 |
| Synonyms: | NSC 677476;Disulfide,bis(dibutylthiocarbamoyl) (6CI,7CI,8CI);Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2),tetrabutyl- (9CI);Bis(dibutylthiocarbamoyl) disulfide;Butyl Tuads;E-BT 55;Methanethioamide, 1,1'-dithiobis[N,N-dibutyl-;N,N,N',N'-Tetrabutylthiuramdisulfide;Robac TBUT;Tetrabutylthiuram disulfide;Nocceler TBT;Nocceler TBT-N;1,1',1'',1'''-[Disulfanediylbis(carbonothioylnitrilo)]tetrabutane;Bis-(dibutylthiocarbamoyl) disulfide;butane, 1,1',1'',1'''-[dithiobis(carbonothioylnitrilo)]tetrakis-; |
| EINECS: | 216-652-6 |
| Density: | 1.081 g/cm3 |
| Melting Point: | 95 °C |
| Boiling Point: | 478.5 °C at 760 mmHg |
| Flash Point: | 243.2 °C |
| Solubility: | 140μg/L at 25℃ |
| Risk Codes: | 20/22-36/37-43-68 |
| Safety: | 26-36/37/39 |
| PSA: | 121.26000 |
| LogP: | 6.74200 |
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Consensus Reports
Specification
The Tetrabutylthiuram disulfide, with the CAS registry number 1634-02-2 and EINECS registry number 216-652-6, has the systematic name and IUPAC name of 1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetrabutane. And the molecular formula of this chemical is C18H36N2S4. What's more, it is used as ultras for natural rubber, synthetic rubber and latex.
The physical properties of Tetrabutylthiuram disulfide are as following: (1)ACD/LogP: 8.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.13; (4)ACD/LogD (pH 7.4): 8.13; (5)ACD/BCF (pH 5.5): 890015.5; (6)ACD/BCF (pH 7.4): 890037; (7)ACD/KOC (pH 5.5): 631167.56; (8)ACD/KOC (pH 7.4): 631182.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 121.26 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 123.45 cm3; (15)Molar Volume: 378 cm3; (16)Polarizability: 48.94×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.081 g/cm3; (19)Flash Point: 243.2 °C; (20)Enthalpy of Vaporization: 74.26 kJ/mol; (21)Boiling Point: 478.5 °C at 760 mmHg; (22)Vapour Pressure: 2.57E-09 mmHg at 25°C.
Preparation of Tetrabutylthiuram disulfide: This chemical can be prepared start from the condensation of carbon bisulfide and dibutylamine. And then add the catalyst, it gives the desired product.
You should be cautious while dealing with this chemical. It irritates eyes and respiratory system, and is harmful by inhalation and if swallowed. It may cause sensitization by inhalation, and has possible risk of irreversible effects. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C(SSC(=S)N(CCCC)CCCC)N(CCCC)CCCC
(2)InChI: InChI=1/C18H36N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
(3)InChIKey: PGAXJQVAHDTGBB-UHFFFAOYAI
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 2350mg/kg (2350mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 8, Pg. 329, 1952. |