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Basic Information
CAS No.: 113772-16-0
Name: 2,5-DIHYDROTHIOPHENE-3-CARBALDEHYDE
Molecular Structure:
Molecular Structure of 113772-16-0 (2,5-DIHYDROTHIOPHENE-3-CARBALDEHYDE)
Formula: C5H6OS
Molecular Weight: 114.168
Synonyms: 2,5-Dihydrothiophene-3-carboxaldehyde;
Density: 1.326 g/cm3
Boiling Point: 226.5 °C at 760 mmHg
Flash Point: 114.4 °C
PSA: 42.37000
LogP: 0.85850
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Specification

The 3-Thiophenecarboxaldehyde,2,5-dihydro-, with the CAS registry number 113772-16-0, is also known as 2,5-Dihydro-3-thiophenecarboxaldehyde. It belongs to the product categories of Aldehydes; Thiophenes & Benzothiophenes; Thiophenes & Benzothiophenes. This chemical's molecular formula is C5H6OS and molecular weight is 114.17. What's more, its IUPAC name and systematic name are the same which is called 2,5-Dihydrothiophene-3-carbaldehyde.

Physical properties about 3-Thiophenecarboxaldehyde,2,5-dihydro-: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 42.37Å2; (7)Index of Refraction: 1.687; (8)Molar Refractivity: 32.81 cm3; (9)Molar Volume: 86 cm3; (10)Surface Tension: 66.5 dyne/cm; (11)Density: 1.326 g/cm3; (12)Flash Point: 114.4 °C; (13)Enthalpy of Vaporization: 46.3 kJ/mol; (14)Boiling Point: 226.5 °C at 760 mmHg; (15)Vapour Pressure: 0.0818 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/C1=C/CSC1
(2) InChI: InChI=1/C5H6OS/c6-3-5-1-2-7-4-5/h1,3H,2,4H2
(3) InChIKey: PZWOFHNNNQBUOF-UHFFFAOYAK