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Thieno[2,3-b]thiophene-2-carboxylic acid

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Name

Thieno[2,3-b]thiophene-2-carboxylic acid

EINECS N/A
CAS No. 14756-75-3 Density 1.602 g/cm3
PSA 93.78000 LogP 2.66100
Solubility N/A Melting Point 236 °C
Formula C7H4O2S2 Boiling Point 389.495 °C at 760 mmHg
Molecular Weight 184.24 Flash Point 189.36 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14756-75-3 (THIENO[2,3-B]THIOPHENE-2-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

2-Thieno[2,3-b]thiophenecarboxylicacid;

Article Data 8

Thieno[2,3-b]thiophene-2-carboxylic acid Specification

This chemical is called Thieno[2,3-b]thiophene-2-carboxylicacid, and its systematic name is thieno[2,3-b]thiophene-5-carboxylic acid. With the molecular formula of C7H4O2S2, its molecular weight is 184.24. The CAS registry number of this chemical is 14756-75-3.

Other characteristics of the Thieno[2,3-b]thiophene-2-carboxylicacid can be summarised as followings: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.602; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.854; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 93.78 Å2; (12)Index of Refraction: 1.77; (13)Molar Refractivity: 47.794 cm3; (14)Molar Volume: 115.038 cm3; (15)Polarizability: 18.947×10-24cm3; (16)Surface Tension: 75.905 dyne/cm; (17)Density: 1.602 g/cm3; (18)Flash Point: 189.36 °C; (19)Enthalpy of Vaporization: 67.38 kJ/mol; (20)Boiling Point: 389.495 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1csc2c1cc(s2)C(=O)O
2.InChI: InChI=1/C7H4O2S2/c8-6(9)5-3-4-1-2-10-7(4)11-5/h1-3H,(H,8,9)
3.InChIKey: JXHSGSLIUHNKRC-UHFFFAOYAI

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