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| CAS No.: | 5418-86-0 |
|---|---|
| Name: | TRIS(METHYLTHIO)METHANE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C4H10S3 |
| Molecular Weight: | 154.321 |
| Synonyms: | Orthoformicacid, trithio-, trimethyl ester (6CI,7CI,8CI);Methyl orthotrithioformate;NSC10536;Trimethyl trithioorthoformate;Tris(methylthio)methane;Trithiomethoxymethane; |
| Density: | 1.127 g/cm3 |
| Melting Point: | 16 °C(lit.) |
| Boiling Point: | 222.2 °C at 760 mmHg |
| Flash Point: | 95.6 °C |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 2810 |
| PSA: | 75.90000 |
| LogP: | 2.35900 |
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Specification
This chemical is called Methane, tris(methylthio)-, and its systematic name is tris(methylsulfanyl)methane. With the molecular formula of C4H10S3, its molecular weight is 154.32. The CAS registry number of this chemical is 5418-86-0. Keep this chemical away from the fire and strong oxides, alkali.
Other characteristics of the Methane, tris(methylthio)- can be summarised as followings: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.88; (6)ACD/BCF (pH 7.4): 56.88; (7)ACD/KOC (pH 5.5): 627.79; (8)ACD/KOC (pH 7.4): 627.79; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.9 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 44.53 cm3; (15)Molar Volume: 136.8 cm3; (16)Polarizability: 17.65×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.127 g/cm3; (19)Flash Point: 95.6 °C; (20)Enthalpy of Vaporization: 44 kJ/mol; (21)Boiling Point: 222.2 °C at 760 mmHg; (22)Vapour Pressure: 0.153 mmHg at 25°C.
Production method of this chemical: The Methane, tris(methylthio)- could be obtained by the reactants of trimethoxymethane and methanethiol. This reaction needs the reagent of HCl(g), and the solvent of CHCl3. The yield is 93.7 %. In addition, this reaction should be taken for 3 days at the temperature of -20°C.
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Uses of this chemical: The Bis-methylmercapto-chlormethan could be obtained by the reactant of Methane, tris(methylthio)-. This reaction needs the reagent of brenzcatechylphosphotrichlorid, and the solvent of CCl4. The yield is 78 %.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. 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)C(SC)SC
2.InChI: InChI=1/C4H10S3/c1-5-4(6-2)7-3/h4H,1-3H3
3.InChIKey: YFMZQCCTZUJXEB-UHFFFAOYAW