5-Methylthiophene-2-carboxaldehyde

The IUPAC name of 5-Methyl-2-thiophenecarboxaldehyde is 5-methylthiophene-2-carbaldehyde. With the CAS registry number 13679-70-4, it is also named as 2-Formyl-5-methylthiophene. The product's categories are Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Thiophenes & Benzothiophenes; Thiophene&Benzothiophene; Heterocyclic Compounds; Thiophenes & Benzothiophenes; Building Blocks; Heterocyclic Building Blocks; Thiophenes; Alphabetical Listings; Flavors and Fragrances; M-N. Besides, it is clear yellow to brown liquid, which should be stored in a closed, cool, dry and ventilated place. In addition, its molecular formula is C₆H₆OS and molecular weight is 126.17.

The other characteristics of this product can be summarized as: (1)EINECS: 237-178-6; (2)ACD/LogP: 1.48; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.48; (5)ACD/LogD (pH 7.4): 1.48; (6)ACD/BCF (pH 5.5): 7.85; (7)ACD/BCF (pH 7.4): 7.85; (8)ACD/KOC (pH 5.5): 152.11; (9)ACD/KOC (pH 7.4): 152.11; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 45.31 Å²; (14)Index of Refraction: 1.593; (15)Molar Refractivity: 36.21 cm³; (16)Molar Volume: 106.8 cm³; (17)Polarizability: 14.35×10^-24cm³; (18)Surface Tension: 42.6 dyne/cm; (19)Density: 1.18 g/cm³; (20)Flash Point: 87.8 °C; (21)Enthalpy of Vaporization: 45.47 kJ/mol; (22)Boiling Point: 218.3 °C at 760 mmHg; (23)Vapour Pressure: 0.127 mmHg at 25 °C.

Preparation of 5-Methyl-2-thiophenecarboxaldehyde: this chemical can be prepared by the reaction of 2-methyl-thiophene with N,N-dimethyl-formamide.



This reaction needs POCl₃. The yield is 75 %.

Uses of 5-Methyl-2-thiophenecarboxaldehyde: it can react with thiosemicarbazide to get 5-methyl-thiophene-2-carbaldehyde-thiosemicarbazone.



This reaction needs ethanol and H₂O by heating for 1 hour. The yield is 85 %.

When you are using this chemical, please be cautious about it as the following: it irritates to eyes, respiratory system and skin. Please do not breathe vapour. And you should keep container tightly closed in a well-ventilated place. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing to avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC1=CC=C(S1)C=O
(2)InChI: InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
(3)InChIKey: VAUMDUIUEPIGHM-UHFFFAOYSA-N