N-(2-Mercaptoethyl)-2-picolylamine supplier

Name
2-[(pyridin-2-ylmethyl)amino]ethanethiol
EINECS
CAS No. 65149-73-7
Article Data4
CAS DataBase
Density 1.1±0.1 g/cm³
Solubility
Melting Point
Formula C₈H₁₂N₂S
Boiling Point 262.0±20.0 °C at 760 mmHg
Molecular Weight 168.263
Flash Point 112.3±21.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[(2-Mercaptoethyl)aminomethyl]pyridine;NSC 89724;N-(2-Mercaptoethyl)picolylamine;
PSA
LogP

N-(2-Mercaptoethyl)-2-picolylamine Specification

The N-(2-Mercaptoethyl)-2-picolylamine, with the CAS registry number 65149-73-7, is also known as 2-[(2-Mercaptoethyl)aminomethyl]pyridine. This chemical's molecular formula is C₈H₁₂N₂S and molecular weight is 168.26. What's more, its systematic name is 2-[(2-Pyridylmethyl)amino]ethanethiol.

Physical properties of N-(2-Mercaptoethyl)-2-picolylamine are: (1)ACD/LogP: 0.80±0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.68; (7)ACD/KOC (pH 5.5): 1.99; (8)ACD/KOC (pH 7.4): 45.62; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.72 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 50.0±0.3 cm³; (15)Molar Volume: 154.8±3.0 cm³; (16)Polarizability: 19.8±0.5×10^-24cm³; (17)Surface Tension: 43.5±3.0 dyne/cm; (18)Density: 1.1±0.1 g/cm³; (19)Flash Point: 112.3±21.8 °C; (20)Enthalpy of Vaporization: 50.0±3.0 kJ/mol; (21)Boiling Point: 262.0±20.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC=NC(=C1)CNCCS
(2)Std. InChI: InChI=1S/C8H12N2S/c11-6-5-9-7-8-3-1-2-4-10-8/h1-4,9,11H,5-7H2
(3)Std. InChIKey: GVNSSGZFWJZSBJ-UHFFFAOYSA-N

Product Name

2-[(pyridin-2-ylmethyl)amino]ethanethiol

N-(2-Mercaptoethyl)-2-picolylamine Specification

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