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389-58-2

Basic Information
CAS No.: 389-58-2
Name: 4H-Cyclopenta[2,1-b:3,4-b']dithiophene
Molecular Structure:
Molecular Structure of 389-58-2 (4H-Cyclopenta[2,1-b:3,4-b']dithiophene)
Formula: C9H6S2
Molecular Weight: 178.27
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:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 56.48000
LogP: 3.38080
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  • CAS NO.389-58-2 4H-Cyclopenta[2,1-b:3,4-b']dithiophene

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  • 4H-Cyclopenta[2,1-b:3,4-b']dithiophene cas  389-58-2

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    389-58-2

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Specification

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