2-Thiophenecarboxaldehyde,5-acetyl- supplier

Name
5-ACETYL-2-THIOPHENECARBALDEHYDE
EINECS
CAS No. 4565-29-1
Article Data3
CAS DataBase
Density 1.262 g/cm³
Solubility
Melting Point 104-105℃
Formula C₇H₆O₂S
Boiling Point 307.4 °C at 760 mmHg
Molecular Weight 154.189
Flash Point 139.7 °C
Transport Information
Appearance
Safety 22-26-36/37/39
Risk Codes 36-36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Formyl-2-acetylthiophene;5-Acetylthiophene-2-carboxaldehyde;2-Acetyl-5-formylthiophene;
PSA 62.38000
LogP 1.76320

2-Thiophenecarboxaldehyde,5-acetyl- Specification

The 2-Thiophenecarboxaldehyde,5-acetyl- is an organic compound with the formula C₇H₆O₂S. The systematic name of this chemical is 5-Acetylthiophene-2-carbaldehyde. With the CAS registry number 4565-29-1, it is also named as 5-Acetyl-2-thiophenecarbaldehyde. Besides, its molecular weight is 154.19.

The physical properties of 2-Thiophenecarboxaldehyde,5-acetyl- are: (1)ACD/LogP: 0.66; (2)ACD/LogD (pH 5.5): 0.66; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 1.86; (5)ACD/BCF (pH 7.4): 1.86; (6)ACD/KOC (pH 5.5): 54.23; (7)ACD/KOC (pH 7.4): 54.23; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 62.38 Å²; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 41.41 cm³; (13)Molar Volume: 122.1 cm³; (14)Polarizability: 16.41×10^-24 cm³; (15)Surface Tension: 47.5 dyne/cm; (16)Density: 1.262 g/cm³; (17)Flash Point: 139.7 °C; (18)Enthalpy of Vaporization: 54.8 kJ/mol; (19)Boiling Point: 307.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000726 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1sc(C(=O)C)cc1
(2)InChI: InChI=1/C7H6O2S/c1-5(9)7-3-2-6(4-8)10-7/h2-4H,1H3
(3)InChIKey: ISGDPVVLVWQENT-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H6O2S/c1-5(9)7-3-2-6(4-8)10-7/h2-4H,1H3
(5)Std. InChIKey: ISGDPVVLVWQENT-UHFFFAOYSA-N

Product Name

5-ACETYL-2-THIOPHENECARBALDEHYDE

2-Thiophenecarboxaldehyde,5-acetyl- Specification

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