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3-Amino-4-mercaptopyridine

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Name

3-Amino-4-mercaptopyridine

EINECS N/A
CAS No. 89002-13-1 Density 1.294 g/cm3
PSA 73.90000 LogP 1.90760
Solubility N/A Melting Point 213 ºC
Formula C5H6N2S Boiling Point 298.171 °C at 760 mmHg
Molecular Weight 126.182 Flash Point 134.13 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 89002-13-1 (4-Pyridinethiol,3-amino-(9CI)) Hazard Symbols N/A
Synonyms

3-Amino-4-mercaptopyridine;3-Amino-4-thiopyridine;

 

3-Amino-4-mercaptopyridine Specification

The 3-Amino-4-mercaptopyridine, its cas register number is 89002-13-1. It also can be called as 3-Amino-4-thiopyridine and the Systematic name about this chemical is 3-aminopyridine-4-thiol. It belongs to the Pyridine.

Physical properties about 3-Amino-4-mercaptopyridine are: (1)ACD/LogP: 0.42; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 77.71Å2; (12)Index of Refraction: 1.677; (13)Molar Refractivity: 36.756 cm3; (14)Molar Volume: 97.548 cm3; (15)Polarizability: 14.571x10-24cm3; (16)Surface Tension: 63.86 dyne/cm; (17)Enthalpy of Vaporization: 53.807 kJ/mol; (18)mmHg Vapour Pressure: 0.001 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: Sc1ccncc1N
(2)InChI: InChI=1/C5H6N2S/c6-4-3-7-2-1-5(4)8/h1-3H,6H2,(H,7,8)
(3)InChIKey: MODUNSYPGHJXDP-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H6N2S/c6-4-3-7-2-1-5(4)8/h1-3H,6H2,(H,7,8)
(5)Std. InChIKey: MODUNSYPGHJXDP-UHFFFAOYSA-N

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