Basic Information | Post buying leads | Suppliers |
Name |
Dithieno[2,3-b:3',2'-d]thiophene |
EINECS | N/A |
CAS No. | 236-63-5 | Density | 1.556 g/cm3 |
PSA | 84.72000 | LogP | 4.17750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H4S3 | Boiling Point | 342.4 °C at 760 mmHg |
Molecular Weight | 196.318 | Flash Point | 119.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Thieno[2,3-b:5,4-b']dithiophene(6CI); |
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