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149488-89-1

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Basic Information
CAS No.: 149488-89-1
Name: 2-(1-Cyclohexen-1-yl)ethylisothiocyanate
Article Data: 2
Molecular Structure:
Molecular Structure of 149488-89-1 (2-(1-Cyclohexen-1-yl)ethylisothiocyanate)
Formula: C9H13NS
Molecular Weight: 167.27
Synonyms: 2-(1-Cyclohexen-1-yl)ethylisothiocyanate;
Density: 1.03 g/cm3
Boiling Point: 262.6 °C at 760 mmHg
Flash Point: 113.6 °C
Hazard Symbols: IrritantXi
PSA: 44.45000
LogP: 2.97970
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Specification

The 2-(1-Cyclohexen-1-yl)ethylisothiocyanate, with the CAS registry number 149488-89-1, is also known as 2-(1-Cyclohexen-1-yl)ethylisothiocyanate, 95+%. This chemical's molecular formula is C9H13NS and molecular weight is 167.27. Its systematic name is called 1-(2-isothiocyanatoethyl)cyclohexene. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 2-(1-Cyclohexen-1-yl)ethylisothiocyanate: (1)ACD/LogP: 3.86; (2)ACD/LogD (pH 5.5): 3.86; (3)ACD/LogD (pH 7.4): 3.86; (4)ACD/BCF (pH 5.5): 506.02; (5)ACD/BCF (pH 7.4): 506.02; (6)ACD/KOC (pH 5.5): 3000.87; (7)ACD/KOC (pH 7.4): 3000.87; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.552; (11)Molar Refractivity: 51.85 cm3; (12)Molar Volume: 162.1 cm3; (13)Surface Tension: 35.3 dyne/cm; (14)Density: 1.03 g/cm3; (15)Flash Point: 113.6 °C; (16)Enthalpy of Vaporization: 48.02 kJ/mol; (17)Boiling Point: 262.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0176 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N/CC/C1=C/CCCC1
(2)InChI: InChI=1/C9H13NS/c11-8-10-7-6-9-4-2-1-3-5-9/h4H,1-3,5-7H2
(3)InChIKey: ODRCTXFHFSJYPA-UHFFFAOYAW