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34955-25-4

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Basic Information
CAS No.: 34955-25-4
Name: 4-(Pyridin-3-yl)-thiosemicarbazide
Article Data: 6
Molecular Structure:
Molecular Structure of 34955-25-4 (4-(Pyridin-3-yl)-thiosemicarbazide)
Formula: C6H8N4S
Molecular Weight: 168.222
Synonyms: Hydrazinecarbothioamide,N-3-pyridinyl-;4-[3-Pyridyl]-3-thiosemicarbazide;N-(Pyridin-3-yl)hydrazinecarbothioamide;1-Amino-3-pyridin-3-ylthiourea;
Density: 1.406 g/cm3
Melting Point: 177-178 ºC
Boiling Point: 317.8 °C at 760 mmHg
Flash Point: 146 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 95.06000
LogP: 1.40590
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Specification

The 4-(Pyridin-3-yl)-thiosemicarbazide, with the CAS registry number 34955-25-4, is also known as 4-[3-Pyridyl]-3-thiosemicarbazide. This chemical's molecular formula is C6H8N4S and molecular weight is 168.22. What's more, its systematic name is 1-amino-3-pyridin-3-ylthiourea. 

Physical properties of 4-(Pyridin-3-yl)-thiosemicarbazide are: (1)ACD/LogP: -0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 19.09; (5)ACD/KOC (pH 7.4): 22.74; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 54.7 Å2; (10)Index of Refraction: 1.742; (11)Molar Refractivity: 48.37 cm3; (12)Molar Volume: 119.5 cm3; (13)Surface Tension: 85.6 dyne/cm; (14)Density: 1.406 g/cm3; (15)Flash Point: 146 °C; (16)Enthalpy of Vaporization: 55.93 kJ/mol; (17)Boiling Point: 317.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000376 mmHg at 25°C.

Uses of 4-(Pyridin-3-yl)-thiosemicarbazide: it can be used to produce 4-pyridin-3-yl-5-trifluoromethyl-2,4-dihydro-[1,2,4]triazole-3-thione by heating. It will need reagent MeONa and solvent methanol with the reaction time of 15 hours. The yield is about 67%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CN=C1)NC(=S)NN
(2)InChI: InChI=1S/C6H8N4S/c7-10-6(11)9-5-2-1-3-8-4-5/h1-4H,7H2,(H2,9,10,11)
(3)InChIKey: IZZXENNHSGUQCV-UHFFFAOYSA-N