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1,3-Dithiole-2-thione

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Name

1,3-Dithiole-2-thione

EINECS 213-215-1
CAS No. 930-35-8 Density 1.56 g/cm3
PSA 88.57000 LogP 2.53910
Solubility N/A Melting Point 48-50 °C(lit.)
Formula C3H2S3 Boiling Point 235.5 °C at 760 mmHg
Molecular Weight 134.247 Flash Point 96.2 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 930-35-8 (1,3-Dithiole-2-thione) Hazard Symbols N/A
Synonyms

Carbonicacid, trithio-, cyclic vinylene ester (6CI,7CI,8CI);1,2-Ethenedithiol, cyclictrithiocarbonate (8CI);1,3-Dithiolethione;DT 827A;Isotrithione;Vinylenetrithiocarbonate;

Article Data 15

1,3-Dithiole-2-thione 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.

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.

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