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CAS No.: | 97-74-5 |
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Name: | Bis(dimethylthiocarbamyl) sulfide |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C6H12N2S3 |
Molecular Weight: | 208.373 |
Synonyms: | Sulfide,bis[(dimethylamino)thioxomethyl];Super Accelerator 500;TMTM;TMTMS;TS;Tetramethyldithiocarbamic acid anhydrosulfide;Tetramethylthiuram monosulfide;Tetramethylthiuram sulfide;Tetramethylthiurammonium sulfide;Thiuram monosulfide,tetramethyl-;Unads;Vulkacit MS;Vulkacit Thiuram MS;Sulfide,bis(dimethylthiocarbamoyl) (8CI);Thiodicarbonic diamide ([(H2N)C(S)]2S), tetramethyl- (9CI);Aceto TMTM;Bis(dimethylthiocarbamoyl) sulfide;Carbamodithioic acid, dimethyl-,anhydrosulfide;Ekagom TM;Mono-Thiurad;Monothiuram;N,N,N',N'-Tetramethylthiurammonosulfide;NSC 3400;NSC 4767;Nocceler TS;Rhenocure Thiuram MS/C;RhenogranTMTM 80;Sanceler TS;Soxinol TS; |
EINECS: | 202-605-7 |
Density: | 1.255 g/cm3 |
Melting Point: | 106-110 °C |
Boiling Point: | 260.9 °C at 760 mmHg |
Flash Point: | 111.6 °C |
Solubility: | insoluble in water |
Appearance: | yellow powder |
Hazard Symbols: | Xn, N |
Risk Codes: | 22-43-51/53 |
Safety: | 24-26-37-61 |
Transport Information: | UN 3077 9/PG 3 |
PSA: | 95.96000 |
LogP: | 1.41260 |
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The IUPAC name of Bis(dimethylthiocarbamoyl)sulfide is dimethylcarbamothioyl N,N-dimethylcarbamodithioate . With the CAS registry number 97-74-5 Tetramethylthiuram monosulfide ; Carbamodithioic acid, dimethyl-, anhydrosulfide ; Cyuram MS ; Mono-thiurad ; Monosulfure de tetramethylthiurame ; N,N,N',N'-Tetramethylthiuram monosulfide ; Sulfide, bis((dimethylamino)thioxomethyl) ; Tetramethyldithiocarbamic acid anhydrosulfide .
The product's categories are pharmaceutical intermediates, functional materials and photopolymerization initiators. It is yellow powder which is soluble in alcohol , chloroform , benzene , acetone , dichloroethane , carbon disulfide , slightly soluble in cold ether , and insoluble in water, gas and oil. When heated to decomposition it emits very toxic fumes of NOx and SOx. Bis(dimethylthiocarbamoyl)sulfide is highly toxic. So the storage environment should be ventilate, low-temperature and dry. Keep it separate from raw materials of food. This product is used as rubber accelerator which can produce cables, tires, rubber hose,and so on.
The Bis(dimethylthiocarbamoyl)sulfide is harmful if swallowed. It may cause sensitization by skin contact. In addition, it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. So people should avoid contact with skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.87 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.87 ; (4)ACD/LogD (pH 7.4): 0.87 ; (5)ACD/BCF (pH 5.5): 2.71 ; (6)ACD/BCF (pH 7.4): 2.71 ; (7)ACD/KOC (pH 5.5): 70.99 ; (8)ACD/KOC (pH 7.4): 70.99 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.64 ; (13)Molar Refractivity: 59.86 cm3 ; (14)Molar Volume: 166 cm3 ; (15)Polarizability: 23.73 10-24cm3 ; (16)Surface Tension: 62 dyne/cm ; (17)Enthalpy of Vaporization: 49.86 kJ/mol ; (18)Vapour Pressure: 0.0119 mmHg at 25°C ; (19)Rotatable Bond Count: 2 ; (20)Exact Mass: 208.01626 ; (21)MonoIsotopic Mass: 208.01626 ; (22)Topological Polar Surface Area: 96 ; (23)Heavy Atom Count: 11. People can use the following data to convert to the molecule structure. SMILES: S=C(SC(=S)N(C)C)N(C)C; InChI: InChI=1/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3.
The following is the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LDLo | oral | 100mg/kg (100mg/kg) | Rubber Chemistry and Technology. Vol. 44, Pg. 512, 1971. | |
dog | LDLo | oral | 100mg/kg (100mg/kg) | Rubber Chemistry and Technology. Vol. 44, Pg. 512, 1971. | |
guinea pig | LD50 | oral | 850mg/kg (850mg/kg) | Farmakologiya i Toksikologiya Vol. 32, Pg. 356, 1969. | |
guinea pig | LDLo | intraperitoneal | 20mg/kg (20mg/kg) | Rubber Chemistry and Technology. Vol. 44, Pg. 512, 1971. | |
mammal (species unspecified) | LDLo | oral | 10mg/kg (10mg/kg) | International Polymer Science and Technology. Vol. 3, Pg. 93, 1976. | |
mouse | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | National Technical Information Service. Vol. AD277-689, | |
mouse | LD50 | oral | 818mg/kg (818mg/kg) | LIVER: OTHER CHANGES KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" BLOOD: CHANGES IN CELL COUNT (UNSPECIFIED) | Environmental Research. Vol. 28, Pg. 199, 1982. |
rabbit | LDLo | oral | 100mg/kg (100mg/kg) | Rubber Chemistry and Technology. Vol. 44, Pg. 512, 1971. | |
rat | LD50 | intraperitoneal | 383mg/kg (383mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Journal de Pharmacologie. Vol. 9, Pg. 35, 1978. |
rat | LD50 | oral | 450mg/kg (450mg/kg) | Farmakologiya i Toksikologiya Vol. 32, Pg. 356, 1969. |