3,6-Di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-2,5-dihydro-1,4-dione supplier

Name
3,6-Di(2-thienyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
EINECS
CAS No. 850583-75-4
Density 1.609 g/cm³
Solubility
Melting Point
Formula C₁₄H₈N₂O₂S₂
Boiling Point 691.95 °C at 760 mmHg
Molecular Weight 300.36
Flash Point 372.278 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 3,6-Di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione;
PSA 121.66000
LogP 2.74340

3,6-Di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-2,5-dihydro-1,4-dione Specification

The 3,6-Di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-2,5-dihydro-1,4-dione, with the CAS registry number 850583-75-4, is also known as 3,6-Di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione. This chemical's molecular formula is C₁₄H₈N₂O₂S₂ and molecular weight is 300.36. What's more, its systematic name is 1,4-Bis(2-thienyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione.

Physical properties of 3,6-Di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-2,5-dihydro-1,4-dione are: (1)ACD/LogP: 3.208; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 161.16; (6)ACD/BCF (pH 7.4): 136.19; (7)ACD/KOC (pH 5.5): 1322.13; (8)ACD/KOC (pH 7.4): 1117.30; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 114.68 Å²; (13)Index of Refraction: 1.774; (14)Molar Refractivity: 77.887 cm³; (15)Molar Volume: 186.692 cm³; (16)Polarizability: 30.877×10^-24cm³; (17)Surface Tension: 78.5 dyne/cm; (18)Density: 1.609 g/cm³; (19)Flash Point: 372.278 °C; (20)Enthalpy of Vaporization: 101.39 kJ/mol; (21)Boiling Point: 691.95 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(sc1)C2=C3C(=C(NC3=O)c4cccs4)C(=O)N2
(2)Std. InChI: InChI=1S/C14H8N2O2S2/c17-13-9-10(12(16-13)8-4-2-6-20-8)14(18)15-11(9)7-3-1-5-19-7/h1-6H,(H,15,18)(H,16,17)
(3)Std. InChIKey: YIUHGBNJJRTMIE-UHFFFAOYSA-N

Product Name

3,6-Di(2-thienyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione

3,6-Di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-2,5-dihydro-1,4-dione Specification

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