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33527-28-5

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Basic Information
CAS No.: 33527-28-5
Name: 1,3-Dichloro-2,6-dithia-s-indacene-4,8-dione
Molecular Structure:
Molecular Structure of 33527-28-5 (1,3-Dichloro-2,6-dithia-s-indacene-4,8-dione)
Formula: C10H2Cl2O2S2
Molecular Weight: 289.16
Synonyms: NSC 149709;1,3-Dichlorothieno[3,4-f][2]benzothiole-4,8-dione;1,3-Dichloro-4H,8H-benzo[1,2-c:4,5-c']bisthiophene-4,8-dione;4H,8H-Benzo[1,2-c:4,5-c']dithiophene-4,8-dione,1,3-dichloro-;
Density: 1.785 g/cm3
Boiling Point: 488 °C at 760 mmHg
Flash Point: 248.9 °C
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Specification

The 1,3-Dichloro-2,6-dithia-s-indacene-4,8-dione, with the CAS registry number 33527-28-5, is also known as 4H,8H-Benzo[1,2-c:4,5-c']dithiophene-4,8-dione,1,3-dichloro-. This chemical's molecular formula is C10H2Cl2O2S2 and molecular weight is 289.16. What's more, its IUPAC name is 1,3-dichlorothieno[3,4-f][2]benzothiole-4,8-dione.

Physical properties of 1,3-Dichloro-2,6-dithia-s-indacene-4,8-dione are: (1)ACD/LogP: 4.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 90.62 Å2; (7)Index of Refraction: 1.738; (8)Molar Refractivity: 65.22 cm3; (9)Molar Volume: 161.9 cm3; (10)Polarizability: 25.85×10-24cm3; (11)Surface Tension: 76.4 dyne/cm; (12)Density: 1.785 g/cm3; (13)Flash Point: 248.9 °C; (14)Enthalpy of Vaporization: 75.4 kJ/mol; (15)Boiling Point: 488 °C at 760 mmHg; (16)Vapour Pressure: 1.13E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C2C(=CS1)C(=O)C3=C(SC(=C3C2=O)Cl)Cl
(2)InChI: InChI=1S/C10H2Cl2O2S2/c11-9-5-6(10(12)16-9)8(14)4-2-15-1-3(4)7(5)13/h1-2H
(3)InChIKey: SQRUNFPRYUOOQP-UHFFFAOYSA-N