5-Methyl-2-thiophenecarboxylic acid

The 5-Methyl-2-thiophenecarboxylic acid, with the CAS registry number 1918-79-2, is also known as NSC89698. It belongs to the product categories of Acids and Derivatives; Heterocycles; Thiophene & Benzothiophene; Organic Acids; Heterocyclic Compounds; Thiophens; Building Blocks; Heterocyclic Building Blocks; Thiophenes. Its EINECS registry number is 217-640-3. This chemical's molecular formula is C₆H₆O₂S and molecular weight is 142.17564. Its IUPAC name is called 5-methylthiophene-2-carboxylic acid. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.

Physical properties of 5-Methyl-2-thiophenecarboxylic acid: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.56; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 36.39 cm³; (13)Molar Volume: 107.7 cm³; (14)Surface Tension: 52.6 dyne/cm; (15)Density: 1.319 g/cm³; (16)Flash Point: 120 °C; (17)Enthalpy of Vaporization: 54.2 kJ/mol; (18)Boiling Point: 274.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00258 mmHg at 25°C.

Uses of 5-Methyl-2-thiophenecarboxylic acid: it can be used to produce (Z)-5-Mercapto-3-hexenoic Acid. This reaction will need reagents Li, NH₃, MeOH with reaction time of 35 min. The yield is about 96%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You should not breathe its dust. What's more, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(S1)C(=O)O
(2)InChI: InChI=1S/C6H6O2S/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
(3)InChIKey: VCNGNQLPFHVODE-UHFFFAOYSA-N