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2(1H)-Pyrimidinethione,4-(3-pyridinyl)-

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Name

2(1H)-Pyrimidinethione,4-(3-pyridinyl)-

EINECS N/A
CAS No. 393516-77-3 Density 1.32 g/cm3
PSA 77.47000 LogP 1.82730
Solubility N/A Melting Point N/A
Formula C9H7N3S Boiling Point 361.2 °C at 760 mmHg
Molecular Weight 189.24 Flash Point 172.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 393516-77-3 (4-(3-PYRIDINYL)-2-THIOPYRIMIDINE) Hazard Symbols N/A
Synonyms

4-(3-Pyridyl)pyrimidine-2-thiol;4-(Pyridin-3-yl)pyrimidin-2-thiol;4-(Pyridin-3-yl)pyrimidine-2-thiol;

 

2(1H)-Pyrimidinethione,4-(3-pyridinyl)- Specification

This chemical is called 2(1H)-Pyrimidinethione,4-(3-pyridinyl)-, and it's also named as 4-(3-Pyridinyl)-2-thioprimidine. With the molecular formula of C9H7N3S, its molecular weight is 189.24. The CAS registry number of this chemical is 393516-77-3.  

Other characteristics of the 2(1H)-Pyrimidinethione,4-(3-pyridinyl)- can be summarised as followings: (1)ACD/LogP: -0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 60.58 Å2; (11)Index of Refraction: 1.7; (12)Molar Refractivity: 55.41 cm3; (13)Molar Volume: 143.2 cm3; (14)Polarizability: 21.96×10-24cm3; (15)Surface Tension: 49.7 dyne/cm; (16)Density: 1.32 g/cm3; (17)Flash Point: 172.3 °C; (18)Enthalpy of Vaporization: 60.7 kJ/mol; (19)Boiling Point: 361.2 °C at 760 mmHg; (20)Vapour Pressure: 2.1E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: S=C2/N=C\C=C(\c1cnccc1)N2
2.InChI: InChI=1/C9H7N3S/c13-9-11-5-3-8(12-9)7-2-1-4-10-6-7/h1-6H,(H,11,12,13)
3.InChIKey: CGQNGCGHBQHWNP-UHFFFAOYAD

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