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39244-08-1

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Basic Information
CAS No.: 39244-08-1
Name: 3-CHLOROTHIENO[2,3-B]THIOPHENE-2-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 39244-08-1 (3-CHLOROTHIENO[2,3-B]THIOPHENE-2-CARBOXYLIC ACID)
Formula: C7H3ClO2S2
Molecular Weight: 218.685
Synonyms: 3-Chlorothieno[2,3-b]thiophene-2-carboxylicacid;3-Chloro-thieno[2,3-b]thiophene-2-carboxylic acid;
Density: 1.722 g/cm3
Melting Point: 251.5 °C
Boiling Point: 406.6 °C at 760 mmHg
Flash Point: 199.7 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-41
Safety: 26-39
PSA: 93.78000
LogP: 3.31440
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Specification

The Thieno[2,3-b]thiophene-2-carboxylicacid, 3-chloro-, with the CAS registry number 39244-08-1, is also known as 3-Chloro-thieno[2,3-b]thiophene-2-carboxylic acid. This chemical's molecular formula is C7H3ClO2S2 and molecular weight is 218.68. What's more, its systematic name is 3-chlorothieno[2,3-b]thiophene-2-carboxylic acid.

Physical properties of Thieno[2,3-b]thiophene-2-carboxylicacid, 3-chloro- are: (1)ACD/LogP: 5.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 4.1; (6)ACD/BCF (pH 7.4): 2.46; (7)ACD/KOC (pH 5.5): 14.09; (8)ACD/KOC (pH 7.4): 8.46; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 82.78 Å2; (13)Index of Refraction: 1.768; (14)Molar Refractivity: 52.68 cm3; (15)Molar Volume: 126.9 cm3; (16)Polarizability: 20.88×10-24 cm3; (17)Surface Tension: 76.3 dyne/cm; (18)Density: 1.722 g/cm3; (19)Flash Point: 199.7 °C; (20)Enthalpy of Vaporization: 69.42 kJ/mol; (21)Boiling Point: 406.6 °C at 760 mmHg; (22)Vapour Pressure: 2.44E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Clc1c2ccsc2sc1C(=O)O
(2)InChI: InChI=1/C7H3ClO2S2/c8-4-3-1-2-11-7(3)12-5(4)6(9)10/h1-2H,(H,9,10)
(3)InChIKey: GCQFYYGUNYJMNY-UHFFFAOYAD