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3-Pyridinethiol,2-amino-

  • Name 3-Pyridinethiol,2-amino-
  • EINECS1806241-263-5
  • CAS No. 110402-20-5
  • Density1.293 g/cm3
  • PSA77.71000
  • LogP1.53370
  • SolubilityN/A
  • Melting Point158-162 °C
  • FormulaC5H6N2S
  • Boiling Point258.9 °C at 760 mmHg
  • Molecular Weight126.182
  • Flash Point110.4 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 110402-20-5 (3-Pyridinethiol,2-amino-(9CI))
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data4

3-Pyridinethiol,2-amino- Specification

The 3-Pyridinethiol,2-amino-, with the CAS registry number 110402-20-5, is also known as 2-Amino-3-mercaptopyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C5H6N2S and molecular weight is 126.182. What's more, its systematic name is 2-aminopyridine-3-thiol. 

Physical properties of 3-Pyridinethiol,2-amino- are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 3.01; (5)ACD/KOC (pH 7.4): 2.72; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 77.71 Å2; (10)Index of Refraction: 1.677; (11)Molar Refractivity: 36.75 cm3; (12)Molar Volume: 97.5 cm3; (13)Surface Tension: 63.8 dyne/cm; (14)Density: 1.293 g/cm3; (15)Flash Point: 110.4 °C; (16)Enthalpy of Vaporization: 49.65 kJ/mol; (17)Boiling Point: 258.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0133 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(N=C1)N)S
(2)InChI: InChI=1S/C5H6N2S/c6-5-4(8)2-1-3-7-5/h1-3,8H,(H2,6,7)
(3)InChIKey: XKWQAXGDFYIFMB-UHFFFAOYSA-N

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