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16621-37-7

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Basic Information
CAS No.: 16621-37-7
Name: 1-(ethylthio)propan-2-ol
Article Data: 16
Molecular Structure:
Molecular Structure of 16621-37-7 (1-(ethylthio)propan-2-ol)
Formula: C5H12OS
Molecular Weight: 120.216
Synonyms: 1-(Ethylthio)-2-propanol;2-(Ethylthio)-1-methylethanol;3-(Ethylthio)propan-2-ol;NSC 202517;
EINECS: 240-670-3
Density: 0.977 g/cm3
Boiling Point: 191.3 °C at 760 mmHg
Flash Point: 94 °C
PSA: 45.53000
LogP: 1.12030
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Specification

The 2-Propanol,1-(ethylthio)-, with CAS registry number 16621-37-7, has the systematic name of 1-(ethylsulfanyl)propan-2-ol. Besides this, it is also called 1-(Ethylthio)-2-propanol. And the chemical formula of this chemical is C5H12OS. What's more, its EINECS is 240-670-3.

Physical properties of 2-Propanol,1-(ethylthio)-: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.19; (6)ACD/BCF (pH 7.4): 3.19; (7)ACD/KOC (pH 5.5): 79.87; (8)ACD/KOC (pH 7.4): 79.87; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.53 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 34.7 cm3; (15)Molar Volume: 122.9 cm3; (16)Polarizability: 13.75×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.977 g/cm3; (19)Flash Point: 94 °C; (20)Enthalpy of Vaporization: 49.75 kJ/mol; (21)Boiling Point: 191.3 °C at 760 mmHg; (22)Vapour Pressure: 0.139 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)CSCC
(2)InChI: InChI=1/C5H12OS/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3
(3)InChIKey: GPZJYTNYOFOTAI-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H12OS/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3
(5)Std. InChIKey: GPZJYTNYOFOTAI-UHFFFAOYSA-N