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| CAS No.: | 389-58-2 |
|---|---|
| Name: | 4H-Cyclopenta[2,1-b:3,4-b']dithiophene |
| Article Data: | 17 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C9H6S2 |
| Molecular Weight: | 178.279 |
| Synonyms: | CPDT; |
| EINECS: | 1592732-453-0 |
| Density: | 1.4 g/cm3 |
| Melting Point: | 71.0 to 75.0 °C |
| Boiling Point: | 307.8 °C at 760 mmHg |
| Flash Point: | 103.1 °C |
| Solubility: | N/A |
| Appearance: | N/A |
| Hazard Symbols: | N/A |
| Risk Codes: | N/A |
| Safety: | |
| Transport Information: | N/A |
| PSA: | 56.48000 |
| LogP: | 3.38080 |
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The 4H-Cyclopenta[2,1-b:3,4-b']dithiophene is an organic compound with the formula C9H6S2. The systematic name of this chemical is 4H-cyclopenta[1,2-b:5,4-b']bisthiophene. With the CAS registry number 389-58-2, it is also named as 3,4-Dithia-7H-cyclopenta[a]pentalene.
Physical properties about 4H-Cyclopenta[2,1-b:3,4-b']dithiophene are: (1)ACD/LogP: 3.52; (2)ACD/LogD (pH 5.5): 3.52; (3)ACD/LogD (pH 7.4): 3.52; (4)ACD/BCF (pH 5.5): 278.56; (5)ACD/BCF (pH 7.4): 278.56; (6)ACD/KOC (pH 5.5): 1957.38; (7)ACD/KOC (pH 7.4): 1957.38; (8)Polar Surface Area: 56.48 Å2; (9)Index of Refraction: 1.725; (10)Molar Refractivity: 50.56 cm3; (11)Molar Volume: 127.2 cm3; (12)Polarizability: 20.04×10-24cm3; (13)Surface Tension: 59.2 dyne/cm; (14)Density: 1.4 g/cm3; (15)Flash Point: 103.1 °C; (16)Enthalpy of Vaporization: 52.65 kJ/mol; (17)Boiling Point: 307.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00129 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: s1ccc3c1c2sccc2C3
(2)InChI: InChI=1/C9H6S2/c1-3-10-8-6(1)5-7-2-4-11-9(7)8/h1-4H,5H2
(3)InChIKey: UITASDKJJNYORO-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H6S2/c1-3-10-8-6(1)5-7-2-4-11-9(7)8/h1-4H,5H2
(5)Std. InChIKey: UITASDKJJNYORO-UHFFFAOYSA-N
