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| CAS No.: | 930-35-8 |
|---|---|
| Name: | 1,3-Dithiole-2-thione |
| Molecular Structure: | |
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| Formula: | C3H2S3 |
| Molecular Weight: | 134.247 |
| Synonyms: | Carbonicacid, trithio-, cyclic vinylene ester (6CI,7CI,8CI);1,2-Ethenedithiol, cyclictrithiocarbonate (8CI);1,3-Dithiolethione;DT 827A;Isotrithione;Vinylenetrithiocarbonate; |
| EINECS: | 213-215-1 |
| Density: | 1.56 g/cm3 |
| Melting Point: | 48-50 °C(lit.) |
| Boiling Point: | 235.5 °C at 760 mmHg |
| Flash Point: | 96.2 °C |
| Safety: | 22-24/25 |
| PSA: | 88.57000 |
| LogP: | 2.53910 |
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Specification
The 1,3-Dithiole-2-thione, with the CAS registry number 930-35-8, is also known as Vinylene trithiocarbonate. It belongs to the product categories of Charge Transfer Complexes (Synthetic Intermediates); Charge Transfer Complexes for Organic Metals; Functional Materials. Its EINECS registry number is 213-215-1. This chemical's molecular formula is C3H2S3 and molecular weight is 134.24. Its systematic name is called 1,3-dithiole-2-thione. When you are using this chemical, please be cautious about it. You should not breathe its dust. In addition, you must avoid contacting it with skin and eyes.
Physical properties of 1,3-Dithiole-2-thione: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): 1.57; (3)ACD/LogD (pH 7.4): 1.57; (4)ACD/BCF (pH 5.5): 9.25; (5)ACD/BCF (pH 7.4): 9.25; (6)ACD/KOC (pH 5.5): 171.02; (7)ACD/KOC (pH 7.4): 171.02; (8)Index of Refraction: 1.806; (9)Molar Refractivity: 36.93 cm3; (10)Molar Volume: 85.8 cm3; (11)Surface Tension: 83.3 dyne/cm; (12)Density: 1.56 g/cm3; (13)Flash Point: 96.2 °C; (14)Enthalpy of Vaporization: 45.31 kJ/mol; (15)Boiling Point: 235.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0763 mmHg at 25°C.
Uses of 1,3-Dithiole-2-thione: it can be used to produce [1,3]dithiol-2-one. This reaction will need reagent chloroform, mercury (II)-acetate and acetic acid.
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You can still convert the following datas into molecular structure:
(1)SMILES: S=C1S/C=C\S1
(2)InChI: InChI=1/C3H2S3/c4-3-5-1-2-6-3/h1-2H
(3)InChIKey: WYKJWNVWJOKVQP-UHFFFAOYAL
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | oral | 100mg/kg (100mg/kg) | SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE BEHAVIORAL: TREMOR GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Journal of Toxicological Sciences. Vol. 22, Pg. 413, 1997. |