5-Propyl-1,3-dithiolo[4,5-d]-1,3-dithiole-2-thione supplier

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

5-Propyl-1,3-dithiolo[4,5-d]-1,3-dithiole-2-thione 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

Product Name

5-PROPYL-1,3-DITHIOLO[4,5-D][1,3]DITHIOLE-2-THIONE

5-Propyl-1,3-dithiolo[4,5-d]-1,3-dithiole-2-thione Specification

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