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CAS No.: | 23062-31-9 |
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Name: | BENZO[1,2-C:3,4-C']DITHIOPHENE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C10H6S2 |
Molecular Weight: | 190.29 |
Synonyms: | Benzo[1,2-c:3,4-c']bisthiophene; |
Density: | 1.392 g/cm3 |
Boiling Point: | 364.8 °C at 760 mmHg |
Flash Point: | 130.1 °C |
PSA: | 56.48000 |
LogP: | 4.11600 |
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The Benzo[1,2-c:3,4-c']dithiophene(8CI,9CI), with the CAS registry number 23062-31-9. This chemical's molecular formula is C10H6S2 and molecular weight is 190.2846. What's more, its systematic name is called Benzo[1,2-c:3,4-c']bisthiophene.
Physical properties about Benzo[1,2-c:3,4-c']dithiophene(8CI,9CI) are: (1)ACD/LogP: 4.04; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.04; (5)ACD/BCF (pH 5.5): 687.29; (6)ACD/BCF (pH 7.4): 687.29; (7)ACD/KOC (pH 5.5): 3736.18; (8)ACD/KOC (pH 7.4): 3736.18; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 56.48 Å2; (13)Index of Refraction: 1.805; (14)Molar Refractivity: 58.7 cm3; (15)Molar Volume: 136.6 cm3; (16)Polarizability: 23.27×10-24 cm3; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.392 g/cm3; (19)Flash Point: 130.1 °C; (20)Enthalpy of Vaporization: 58.69 kJ/mol; (21)Boiling Point: 364.8 °C at 760 mmHg; (22)Vapour Pressure: 3.45E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: s2cc1ccc3c(c1c2)csc3
(2) InChI: InChI=1/C10H6S2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1-6H
(3) InChIKey: LEUKYYGLOJHEGF-UHFFFAOYAM