3H-1,2-Dithiole-3-thione supplier

Name
3H-1,2-Dithiole-3-thione
EINECS 208-595-0
CAS No. 534-25-8
Article Data11
CAS DataBase
Density 1.56g/cm³
Solubility
Melting Point 79-81°C
Formula C₃H₂S₃
Boiling Point 235.5 °C at 760 mmHg
Molecular Weight 134.247
Flash Point 96.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Dithiole-3-thione(6CI);
PSA 88.57000
LogP 2.53910

3H-1,2-Dithiole-3-thione 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

Product Name

3H-1,2-Dithiole-3-thione

3H-1,2-Dithiole-3-thione Specification

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