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| CAS No.: | 164670-44-4 |
|---|---|
| Name: | 4-PYRIDYLTHIOUREA |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H7N3S |
| Molecular Weight: | 153.20 |
| Synonyms: | Thiourea,4-pyridinyl- (9CI);1-(4-Pyridyl)thiourea;4-Pyridylthiourea;N-(4-Pyridyl)thiourea;NSC 201960;Pyridin-4-ylthiourea; |
| Density: | 1.382 g/cm3 |
| Melting Point: | 174 °C |
| Boiling Point: | 298.7 °C at 760 mmHg |
| Flash Point: | 134.4 °C |
| Appearance: | white or yellow solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 25 |
| Safety: | 22-36/37 |
| Transport Information: | 2811 |
| PSA: | 83.03000 |
| LogP: | 1.51040 |
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Specification
This chemical is called 4-Pyridylthiourea, and its systematic name is 1-pyridin-4-ylthiourea. With the molecular formula of C6H7N3S, its molecular weight is 153.20. The CAS registry number of this chemical is 164670-44-4. In addition, this chemical is white or yellow solid.
Other characteristics of the 4-Pyridylthiourea can be summarised as followings: (1)ACD/LogP: -0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.61; (8)ACD/KOC (pH 7.4): 9.09; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.46 Å2; (13)Index of Refraction: 1.742; (14)Molar Refractivity: 44.77 cm3; (15)Molar Volume: 110.7 cm3; (16)Polarizability: 17.75×10-24cm3; (17)Surface Tension: 84.5 dyne/cm; (18)Density: 1.382 g/cm3; (19)Flash Point: 134.4 °C; (20)Enthalpy of Vaporization: 53.86 kJ/mol; (21)Boiling Point: 298.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00125 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is toxic if swallowed, so do not breathe dust. You should wear suitable protective clothing and gloves when you use it.
You can still convert the following datas into molecular structure:
1.SMILES: S=C(Nc1ccncc1)N
2.InChI: InChI=1/C6H7N3S/c7-6(10)9-5-1-3-8-4-2-5/h1-4H,(H3,7,8,9,10)
3.InChIKey: HLOFIQOOOSRNFY-UHFFFAOYAF