CAS No.30162-37-9,3-PYRIDYLTHIOUREA Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	30162-37-9
Name:	3-PYRIDYLTHIOUREA
Article Data:	15

Formula:	C₆H₇N₃S
Molecular Weight:	153.208
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;
EINECS:	250-075-0
Density:	1.382 g/cm³
Melting Point:	159 °C
Boiling Point:	298.7 °C at 760 mmHg
Flash Point:	134.4 °C
Appearance:	solid
Hazard Symbols:	R22:Harmful if swallowed.;
Risk Codes:	22
Safety:	22-36/37
Transport Information:	2811
PSA:	83.03000
LogP:	1.51040

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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