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35250-76-1

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Basic Information
CAS No.: 35250-76-1
Name: 5-Propyl-thiophene-2-carbaldehyde
Article Data: 10
Molecular Structure:
Molecular Structure of 35250-76-1 (5-Propyl-thiophene-2-carbaldehyde)
Formula: C8H10OS
Molecular Weight: 154.233
Synonyms: TIMTEC-BB SBB010356;AKOS B030362;5-PROPYL-THIOPHENE-2-CARBALDEHYDE;ART-CHEM-BB B030362;VITAS-BB TBB010453
Density: 1.102 g/cm3
Boiling Point: 244.6 °C at 760 mmHg
Flash Point: 95.3 °C
Hazard Symbols: IrritantXi
Risk Codes: 43
Safety: 36/37
PSA: 45.31000
LogP: 2.51310
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Specification

The CAS registry number of 5-Propyl-thiophene-2-carbaldehyde is 35250-76-1. Its molecular formula is C8H10OS and molecular weight is 154.23. Its systematic name is called 5-propylthiophene-2-carbaldehyde. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about this chemical are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.41; (6)ACD/BCF (pH 7.4): 50.41; (7)ACD/KOC (pH 5.5): 575.78; (8)ACD/KOC (pH 7.4): 575.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 45.57 cm3; (14)Molar Volume: 139.9 cm3; (15)Surface Tension: 40 dyne/cm; (16)Density: 1.102 g/cm3; (17)Flash Point: 95.3 °C; (18)Enthalpy of Vaporization: 48.17 kJ/mol; (19)Boiling Point: 244.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0301 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1sc(cc1)CCC
(2)InChI: InChI=1/C8H10OS/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,2-3H2,1H3
(3)InChIKey: LWPDFFNCKYNEOT-UHFFFAOYAR