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| CAS No.: | 175202-55-8 |
|---|---|
| Name: | 3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE-2,5-DICARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C10H8O4S2 |
| Molecular Weight: | 256.303 |
| Synonyms: | 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid;Thieno[2,3-b]thiophene-2,5-dicarboxylic acid, 3,4-dimethyl-; |
| EINECS: | 200-258-5 |
| Density: | 1.6 g/cm3 |
| Melting Point: | >360 °C |
| Boiling Point: | 538 °C at 760 mmHg |
| Flash Point: | 279.2 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 131.08000 |
| LogP: | 2.97600 |
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Specification
The Thieno[2,3-b]thiophene-2,5-dicarboxylicacid, 3,4-dimethyl-, with the CAS registry number 175202-55-8, has the systematic name of 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H8O4S2.
The characteristics of Thieno[2,3-b]thiophene-2,5-dicarboxylicacid, 3,4-dimethyl- are as followings: (1)ACD/LogP: 5.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.6; (8)ACD/KOC (pH 7.4): 1.84; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 109.08 Å2; (13)Index of Refraction: 1.736; (14)Molar Refractivity: 64.37 cm3; (15)Molar Volume: 160.1 cm3; (16)Polarizability: 25.51×10-24cm3; (17)Surface Tension: 78.7 dyne/cm; (18)Density: 1.6 g/cm3; (19)Flash Point: 279.2 °C; (20)Enthalpy of Vaporization: 85.79 kJ/mol; (21)Boiling Point: 538 °C at 760 mmHg; (22)Vapour Pressure: 2.08E-12 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1sc2sc(C(=O)O)c(c2c1C)C
(2)InChI: InChI=1/C10H8O4S2/c1-3-5-4(2)7(9(13)14)16-10(5)15-6(3)8(11)12/h1-2H3,(H,11,12)(H,13,14)
(3)InChIKey: JARLNIWLMPUVAR-UHFFFAOYAR