2-Propanol,1-(ethylthio)- supplier

Name
1-(ethylthio)propan-2-ol
EINECS 240-670-3
CAS No. 16621-37-7
Article Data16
CAS DataBase
Density 0.977 g/cm³
Solubility
Melting Point
Formula C₅H₁₂OS
Boiling Point 191.3 °C at 760 mmHg
Molecular Weight 120.216
Flash Point 94 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Ethylthio)-2-propanol;2-(Ethylthio)-1-methylethanol;3-(Ethylthio)propan-2-ol;NSC 202517;
PSA 45.53000
LogP 1.12030

2-Propanol,1-(ethylthio)- 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

Product Name

1-(ethylthio)propan-2-ol

2-Propanol,1-(ethylthio)- Specification

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