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| CAS No.: | 1908-87-8 |
|---|---|
| Name: | 3-methylthiazolidine-2-thione |
| Molecular Structure: | |
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| Formula: | C4H7NS2 |
| Molecular Weight: | 133.238 |
| Synonyms: | 3-Methyl-1,3-thiazolidine-2-thione;3-Methyl-2-thiazolidinethione;N-Methyl-2-thiazolidinethione;NSC 122616;Rhenogran MTT 80;Vulkacit CRV; |
| EINECS: | 217-614-1 |
| Density: | 1.3g/cm3 |
| Melting Point: | 68-69 °C |
| Boiling Point: | 189.7 °C at 760 mmHg |
| Flash Point: | 68.5 °C |
| Solubility: | 3.56g/L at 30℃ |
| PSA: | 60.63000 |
| LogP: | 0.88780 |
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Specification
The 3-Methylthiazolidine-2-thione with its cas register number is 1908-87-8. It also can be called as 2-Thiazolidinethione,3-methyl- and the IUPAC Name about this chemical is 3-methyl-1,3-thiazolidine-2-thione.
Physical properties about 3-Methylthiazolidine-2-thione are: (1)ACD/LogP: 0.48; (2)ACD/LogD (pH 5.5): 0.48; (3)ACD/LogD (pH 7.4): 0.48; (4)ACD/BCF (pH 5.5): 1.37; (5)ACD/BCF (pH 7.4): 1.37; (6)ACD/KOC (pH 5.5): 43.54; (7)ACD/KOC (pH 7.4): 43.54; (8)#H bond acceptors: 1; (9)Polar Surface Area: 60.63Å2; (10)Index of Refraction: 1.658; (11)Molar Refractivity: 37.52 cm3; (12)Molar Volume: 101.8 cm3; (13)Polarizability: 14.87x10-24cm3; (14)Surface Tension: 62 dyne/cm; (15)Enthalpy of Vaporization: 42.59 kJ/mol; (16)Vapour Pressure: 0.562 mmHg at 25°C
Preparation: this chemical can be prepared by2-methylamino-ethanol with carbon disulfide. This reaction also can produce 3-methyl-oxazolidine-2-thione. This reaction will need reagent Ph3SbO and solvent methanol. The reaction time is1 hour(s) with Ambient temperature. The yield is about 93.2 %.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCSC1=S
(2)InChI: InChI=1S/C4H7NS2/c1-5-2-3-7-4(5)6/h2-3H2,1H3
(3)InChIKey: RGTLAJIDOSPEDH-UHFFFAOYSA-N