1-Propanethiol,3-[(1-phenylethyl)amino]- supplier

Name
3-[(1-phenylethyl)amino]propane-1-thiol
EINECS
CAS No. 4628-56-2
Article Data2
CAS DataBase
Density 0.999 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₇NS
Boiling Point 287.4 °C at 760 mmHg
Molecular Weight 195.3244
Flash Point 127.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Propanethiol,3-[(a-methylbenzyl)amino]- (7CI,8CI);NSC 80308;
PSA
LogP

1-Propanethiol,3-[(1-phenylethyl)amino]- Specification

The 1-Propanethiol,3-[(1-phenylethyl)amino]- is an organic compound with the formula C₁₁H₁₇NS. With the CAS registry number 4628-56-2, the IUPAC name of this chemical is 3-(1-phenylethylamino)propane-1-thiol.

Physical properties about 1-Propanethiol,3-[(1-phenylethyl)amino]- are: (1)ACD/LogP: 2.82; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 28.54 Å²; (6)Index of Refraction: 1.538; (7)Molar Refractivity: 61.19 cm³; (8)Molar Volume: 195.3 cm³; (9)Polarizability: 24.25×10^-24cm³; (10)Surface Tension: 36.9 dyne/cm; (11)Density: 0.999 g/cm³; (12)Flash Point: 127.6 °C; (13)Enthalpy of Vaporization: 52.65 kJ/mol; (14)Boiling Point: 287.4 °C at 760 mmHg; (15)Vapour Pressure: 0.0025 mmHg at 25°C.

Uses of 1-Propanethiol,3-[(1-phenylethyl)amino]-: it can be used to produce (1-phenyl-ethyl)-{3-[3-(1-phenyl-ethylamino)-propyldisulfanyl]-propyl}-amine at ambient temperature. It will need reagent hydrogen peroxide, catalyst ferrous sulfate and solvent H₂O with reaction time of 12 hours. The yield is about 92.7%.

You can still convert the following datas into molecular structure:
(1)SMILES: SCCCNC(c1ccccc1)C
(2)InChI: InChI=1/C11H17NS/c1-10(12-8-5-9-13)11-6-3-2-4-7-11/h2-4,6-7,10,12-13H,5,8-9H2,1H3
(3)InChIKey: FORPVLUQWPWTJM-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H17NS/c1-10(12-8-5-9-13)11-6-3-2-4-7-11/h2-4,6-7,10,12-13H,5,8-9H2,1H3
(5)Std. InChIKey: FORPVLUQWPWTJM-UHFFFAOYSA-N

Product Name

3-[(1-phenylethyl)amino]propane-1-thiol

1-Propanethiol,3-[(1-phenylethyl)amino]- Specification

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