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| CAS No.: | 14756-75-3 |
|---|---|
| Name: | THIENO[2,3-B]THIOPHENE-2-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C7H4O2S2 |
| Molecular Weight: | 184.24 |
| Synonyms: | 2-Thieno[2,3-b]thiophenecarboxylicacid; |
| Density: | 1.602 g/cm3 |
| Melting Point: | 236 °C |
| Boiling Point: | 389.495 °C at 760 mmHg |
| Flash Point: | 189.36 °C |
| PSA: | 93.78000 |
| LogP: | 2.66100 |
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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