Thiophene, 3-ethynyl- (67237-53-0)

The CAS register number of 3-Ethynylthiophene is 67237-53-0. It also can be called as Thiophene, 3-ethynyl- and the systematic name about this chemical is 3-ethynylthiophene. The molecular formula about this chemical is C₆H₄S and the molecular weight is 108.16. It belongs to the following product categories, such as Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Thiophenes and so on.

Physical properties about 3-Ethynylthiophene are: (1)ACD/LogP: 2.08; (2)ACD/LogD (pH 5.5): 2.08; (3)ACD/LogD (pH 7.4): 2.08; (4)ACD/BCF (pH 5.5): 22.35; (5)ACD/BCF (pH 7.4): 22.35; (6)ACD/KOC (pH 5.5): 321.69; (7)ACD/KOC (pH 7.4): 321.69; (8)Polar Surface Area: 28.24Ų; (9)Index of Refraction: 1.571; (10)Molar Refractivity: 31.95 cm³; (11)Molar Volume: 97.1 cm³; (12)Polarizability: 12.66x10^-24cm³; (13)Surface Tension: 42.3 dyne/cm; (14)Enthalpy of Vaporization: 37.09 kJ/mol; (15)Boiling Point: 150 °C at 760 mmHg; (16)Vapour Pressure: 5 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and it is irritating to respiratory system and skin, it also has risk of serious damage to the eyes. When you are using it, wear eye / face protection and keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C#Cc1ccsc1
(2)InChI: InChI=1/C6H4S/c1-2-6-3-4-7-5-6/h1,3-5H
(3)InChIKey: MJHLPKWONJUCFK-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H4S/c1-2-6-3-4-7-5-6/h1,3-5H
(5)Std. InChIKey: MJHLPKWONJUCFK-UHFFFAOYSA-N