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

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

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

Product Name

4-(3-PYRIDINYL)-2-THIOPYRIMIDINE

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

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