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2(1H)-Pyrimidinethione,5-propyl-

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Name

2(1H)-Pyrimidinethione,5-propyl-

EINECS N/A
CAS No. 52767-84-7 Density 1.119 g/cm3
PSA 64.58000 LogP 1.71780
Solubility N/A Melting Point 207-211°C
Formula C7H10N2S Boiling Point 274.6 °C at 760 mmHg
Molecular Weight 154.236 Flash Point 119.9 °C
Transport Information N/A Appearance N/A
Safety 26-37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 52767-84-7 (2-MERCAPTO-5-N-PROPYLPYRIMIDINE) Hazard Symbols IrritantXi
Synonyms

2-Pyrimidinethiol,5-propyl- (6CI);

 

2(1H)-Pyrimidinethione,5-propyl- Specification

The 2(1H)-Pyrimidinethione,5-propyl-, with CAS registry number 52767-84-7, is also name as 2-Mercapto-5-N-Propylpyrimidine. Its molecular formula is C7H10N2S and its product categories are APIs & Intermediate; Pyrimidine. Additionally, this chemical has the systematic name 5-propylpyrimidine-2-thiol. However, keep it in the cool and dry place where the room is ventilated.

Other characteristics of the 2(1H)-Pyrimidinethione,5-propyl- can be summarised as followings: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 64.58 Å2; (7)Index of Refraction: 1.563; (8)Molar Refractivity: 44.79 cm3; (9)Molar Volume: 137.8 cm3; (10)Polarizability: 17.75×10-24cm3; (11)Surface Tension: 46.7 dyne/cm; (12)Density: 1.119 g/cm3; (13)Flash Point: 119.9 °C; (14)Enthalpy of Vaporization: 49.23 kJ/mol; (15)Boiling Point: 274.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00898 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing and gloves if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Sc1ncc(CCC)cn1
2.InChI: InChI=1/C7H10N2S/c1-2-3-6-4-8-7(10)9-5-6/h4-5H,2-3H2,1H3,(H,8,9,10)
3.InChIKey: YZFGTZRDMRKBBU-UHFFFAOYAO

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