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| CAS No.: | 236-63-5 |
|---|---|
| Name: | Dithieno[2,3-b:3',2'-d]thiophene |
| Molecular Structure: | |
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| Formula: | C8H4S3 |
| Molecular Weight: | 196.318 |
| Synonyms: | Thieno[2,3-b:5,4-b']dithiophene(6CI); |
| Density: | 1.556 g/cm3 |
| Boiling Point: | 342.4 °C at 760 mmHg |
| Flash Point: | 119.5 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 84.72000 |
| LogP: | 4.17750 |
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Specification
The CAS registry number of Dithieno[2,3-b:3',2'-d]thiophene is 236-63-5. This chemical is also named as Dithien[2,3-b:3',2'-d]thiophene. In addition, its molecular formula is C8H4S3 and molecular weight is 196.31. Its systematic name is called bisthieno[2,3-b:3',2'-d]thiophene. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Dithieno[2,3-b:3',2'-d]thiophene are: (1)ACD/LogP: 6.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.24; (4)ACD/LogD (pH 7.4): 6.24; (5)ACD/BCF (pH 5.5): 32654.83; (6)ACD/BCF (pH 7.4): 32654.83; (7)ACD/KOC (pH 5.5): 59247.14; (8)ACD/KOC (pH 7.4): 59247.14; (9)#H bond acceptors: 0#H ; (10)bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.865; (13)Molar Refractivity: 57.09 cm3; (14)Molar Volume: 126.1 cm3; (15)Surface Tension: 69.7 dyne/cm; (16)Density: 1.556 g/cm3; (17)Flash Point: 119.5 °C; (18)Enthalpy of Vaporization: 56.3 kJ/mol; (19)Boiling Point: 342.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000149 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: s2c1sc3sccc3c1cc2
(2)InChI: InChI=1/C8H4S3/c1-3-9-7-5(1)6-2-4-10-8(6)11-7/h1-4H
(3)InChIKey: IAOQICOCWPKKMH-UHFFFAOYAV