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Name |
2,5-Dimethylthiophene-3-carboxaldehyde |
EINECS | N/A |
CAS No. | 26421-44-3 | Density | 1.138 g/cm3 |
PSA | 45.31000 | LogP | 2.17740 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H8OS | Boiling Point | 218 °C at 760 mmHg |
Molecular Weight | 140.206 | Flash Point | 86 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2,5-Dimethyl-3-formylthiophene; |
Article Data | 13 |
This chemical is called 2,5-Dimethylthiophene-3-carbaldehyde, and it can also be named as 3-Thiophenecarboxaldehyde, 2,5-dimethyl-. With the molecular formula of C7H8OS, its molecular weight is 140.20. The CAS registry number of this chemical is 26421-44-3. Additionally, its product categories are Aldehydes; Thiophenes & Benzothiophenes.
Other characteristics of the 2,5-Dimethylthiophene-3-carbaldehyde can be summarised as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.25; (6)ACD/BCF (pH 7.4): 17.25; (7)ACD/KOC (pH 5.5): 267.3; (8)ACD/KOC (pH 7.4): 267.3; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 41.03 cm3; (15)Molar Volume: 123.1 cm3; (16)Polarizability: 16.26×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.138 g/cm3; (19)Flash Point: 86 °C; (20)Enthalpy of Vaporization: 45.44 kJ/mol; (21)Boiling Point: 218 °C at 760 mmHg; (22)Vapour Pressure: 0.129 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1c(sc(c1)C)C
2.InChI: InChI=1/C7H8OS/c1-5-3-7(4-8)6(2)9-5/h3-4H,1-2H3
3.InChIKey: WVIQPBIZBQRJAD-UHFFFAOYAZ