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CAS No.: | 1073-31-0 |
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Name: | THIOPHENE-3,4-DICARBALDEHYDE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C6H4O2S |
Molecular Weight: | 140.163 |
Synonyms: | 3,4-Diformylthiophene;3,4-Thiophenedicarbaldehyde; |
Density: | 1.371 g/cm3 |
Melting Point: | 81 °C |
Boiling Point: | 293.888 °C at 760 mmHg |
Flash Point: | 131.539 °C |
PSA: | 62.38000 |
LogP: | 1.37310 |
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This chemical is called 3,4-Thiophenedicarboxaldehyde, and its systematic name is Thiophene-3,4-dicarbaldehyde. With the molecular formula of C6H4O2S, its molecular weight is 140.16. The CAS registry number of the chemical is 1073-31-0.
Other characteristics of 3,4-Thiophenedicarboxaldehyde can be summarised as followings: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 17; (6)ACD/KOC (pH 7.4): 17; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 62.38 Å2; (11)Index of Refraction: 1.669; (12)Molar Refractivity: 38.143 cm3; (13)Molar Volume: 102.245 cm3; (14)Polarizability: 15.121×10-24cm3; (15)Surface Tension: 56.686 dyne/cm; (16)Density: 1.371 g/cm3; (17)Flash Point: 131.539 °C; (18)Enthalpy of Vaporization: 53.349 kJ/mol; (19)Boiling Point: 293.888 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1c(c(cs1)C=O)C=O
2.InChI: InChI=1/C6H4O2S/c7-1-5-3-9-4-6(5)2-8/h1-4H
3.InChIKey: GCYSRLXIEWTZNM-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C6H4O2S/c7-1-5-3-9-4-6(5)2-8/h1-4H
5.Std. InChIKey: GCYSRLXIEWTZNM-UHFFFAOYSA-N