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| CAS No.: | 534-25-8 |
|---|---|
| Name: | 3H-1,2-Dithiole-3-thione |
| Molecular Structure: | |
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| Formula: | C3H2S3 |
| Molecular Weight: | 134.247 |
| Synonyms: | 1,2-Dithiole-3-thione(6CI); |
| EINECS: | 208-595-0 |
| Density: | 1.56g/cm3 |
| Melting Point: | 79-81°C |
| Boiling Point: | 235.5 °C at 760 mmHg |
| Flash Point: | 96.2 °C |
| PSA: | 88.57000 |
| LogP: | 2.53910 |
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Specification
The 3H-1,2-Dithiole-3-thione, with CAS registry number 534-25-8, belongs to the following product categories: (1)Heterocyclic Compounds; (2)Heterocycles; (3)Inhibitors; (4)Sulfur & Selenium Compounds. It has the systematic name of 3H-1,2-dithiole-3-thione. Its classification code is Antineoplastic agents. And the chemical formula of this chemical is C3H2S3.
Physical properties of 3H-1,2-Dithiole-3-thione: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.18; (6)ACD/BCF (pH 7.4): 5.18; (7)ACD/KOC (pH 5.5): 112.9; (8)ACD/KOC (pH 7.4): 112.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 82.69 Å2; (13)Index of Refraction: 1.806; (14)Molar Refractivity: 36.93 cm3; (15)Molar Volume: 85.8 cm3; (16)Polarizability: 14.64×10-24cm3; (17)Surface Tension: 83.3 dyne/cm; (18)Density: 1.56 g/cm3; (19)Flash Point: 96.2 °C; (20)Enthalpy of Vaporization: 45.31 kJ/mol; (21)Boiling Point: 235.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0763 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C\1SS/C=C/1
(2)InChI: InChI=1/C3H2S3/c4-3-1-2-5-6-3/h1-2H
(3)InChIKey: LZENMJMJWQSSNJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C3H2S3/c4-3-1-2-5-6-3/h1-2H
(5)Std. InChIKey: LZENMJMJWQSSNJ-UHFFFAOYSA-N