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Thiourea,N-3-pyridinyl-

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Name

Thiourea,N-3-pyridinyl-

EINECS 250-075-0
CAS No. 30162-37-9 Density 1.382 g/cm3
PSA 83.03000 LogP 1.51040
Solubility N/A Melting Point 159 °C
Formula C6H7N3S Boiling Point 298.7 °C at 760 mmHg
Molecular Weight 153.208 Flash Point 134.4 °C
Transport Information 2811 Appearance solid
Safety 22-36/37 Risk Codes 22
Molecular Structure Molecular Structure of 30162-37-9 (3-PYRIDYLTHIOUREA) Hazard Symbols R22:Harmful if swallowed.;
Synonyms

Thiourea,3-pyridinyl- (9CI);Urea, 1-(3-pyridyl)-2-thio- (8CI);(Pyridin-3-yl)thiourea;1-(3-Pyridyl)thiourea;3-Pyridylthiourea;N-3-Pyridylthiourea;N-Pyridin-3-ylthiourea;NSC 201721;

Article Data 15

Thiourea,N-3-pyridinyl- Specification

The Thiourea,N-3-pyridinyl-, with the CAS registry number 30162-37-9, is also known as 3-Pyridylthiourea. Its EINECS number is 250-075-0. This chemical's molecular formula is C6H7N3S and molecular weight is 153.036068. Its IUPAC name is called pyridin-3-ylthiourea. 

Physical properties of Thiourea,N-3-pyridinyl-: (1)ACD/LogP: -0.76; (2)ACD/LogD (pH 5.5): -0.8; (3)ACD/LogD (pH 7.4): -0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.32; (7)ACD/KOC (pH 7.4): 9.16; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.742; (12)Molar Refractivity: 44.77 cm3; (13)molar volume: 110.7 cm3; (14)Surface Tension: 84.5 dyne/cm; (15)Density: 1.382 g/cm3; (16)Flash Point: 134.4 °C; (17)Enthalpy of Vaporization: 53.86 kJ/mol; (18)Boiling Point: 298.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00125 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-benzoyl-3-pyridin-3-yl-thiourea. This reaction will need reagent 5percent aq. NaOH. The reaction time is 15 min with reaction temperature of 80 °C. The yield is about 87%.

Uses of Thiourea,N-3-pyridinyl-: it can be used to produce 4-(2,4,5-Trichlorophenyl)-2-(3-pyridylamino)thiazole by heating. This reaction will need solvent ethanol with reaction time of 15 min. The yield is about 75.6%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. You should not breathe its dust. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CN=C1)NC(=S)N
(2)InChI: InChI=1S/C6H7N3S/c7-6(10)9-5-2-1-3-8-4-5/h1-4H,(H3,7,9,10)
(3)InChIKey: CFOJQUGXHMGMOT-UHFFFAOYSA-N

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