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CAS No.: | 35250-76-1 |
---|---|
Name: | 5-Propyl-thiophene-2-carbaldehyde |
Article Data: | 10 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 45.31000 |
LogP: | 2.51310 |
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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