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Basic Information
CAS No.: 202126-48-5
Name: 5-PROPYL-1,3-DITHIOLO[4,5-D][1,3]DITHIOLE-2-THIONE
Molecular Structure:
Molecular Structure of 202126-48-5 (5-PROPYL-1,3-DITHIOLO[4,5-D][1,3]DITHIOLE-2-THIONE)
Formula: C7H8S5
Molecular Weight: 252.46
Synonyms: [1,3]Dithiolo[4,5-d]-1,3-dithiolethione,propyl- (9CI);
Density: 1.55 g/cm3
Melting Point: 51 °C
Boiling Point: 396.3 °C at 760 mmHg
Flash Point: 193.5 °C
PSA: 139.17000
LogP: 4.86310
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Specification

The 5-Propyl-1,3-dithiolo[4,5-d]-1,3-dithiole-2-thione is an organic compound with the formula C7H8S5. The systematic name of this chemical is 1,3-dithiolo[4,5-d][1,3]dithiole-2-thione, 5-propyl-. With the CAS registry number 202126-48-5, it is also named as 5-Propyl[1,3]dithiolo[4,5-d][1,3]dithiole-2-thione. The product's categories are Charge Transfer Complexes (Synthetic Intermediates); Charge Transfer Complexes for Organic Metals; Functional Materials.

Physical properties about 5-Propyl-1,3-dithiolo[4,5-d]-1,3-dithiole-2-thione are: (1)ACD/LogP: 4.28; (2)ACD/LogD (pH 5.5): 4.28; (3)ACD/LogD (pH 7.4): 4.28; (4)ACD/BCF (pH 5.5): 1051.78; (5)ACD/BCF (pH 7.4): 1051.78; (6)ACD/KOC (pH 5.5): 5066.34; (7)ACD/KOC (pH 7.4): 5066.34; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 133.29 Å2; (10)Index of Refraction: 1.793; (11)Molar Refractivity: 68.97 cm3; (12)Molar Volume: 162.3 cm3; (13)Polarizability: 27.34×10-24cm3; (14)Surface Tension: 80.1 dyne/cm; (15)Density: 1.55 g/cm3; (16)Flash Point: 193.5 °C; (17)Enthalpy of Vaporization: 62.14 kJ/mol; (18)Boiling Point: 396.3 °C at 760 mmHg; (19)Vapour Pressure: 3.94E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCC1Sc2c(sc(=S)s2)S1
(2)InChI: InChI=1/C7H8S5/c1-2-3-4-9-5-6(10-4)12-7(8)11-5/h4H,2-3H2,1H3
(3)InChIKey: QVGTUNLOIXSBRJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H8S5/c1-2-3-4-9-5-6(10-4)12-7(8)11-5/h4H,2-3H2,1H3
(5)Std. InChIKey: QVGTUNLOIXSBRJ-UHFFFAOYSA-N