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| CAS No.: | 110402-20-5 |
|---|---|
| Name: | 3-Pyridinethiol,2-amino-(9CI) |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C5H6N2S |
| Molecular Weight: | 126.182 |
| Synonyms: | 2-Amino-3-mercaptopyridine;2-Aminopyridine-3-thiol; |
| EINECS: | 1806241-263-5 |
| Density: | 1.293 g/cm3 |
| Melting Point: | 158-162 °C |
| Boiling Point: | 258.9 °C at 760 mmHg |
| Flash Point: | 110.4 °C |
| PSA: | 77.71000 |
| LogP: | 1.53370 |
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- Total:36 Page 1 of 1 1
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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