2H-Imidazole-2-thione,1,3-dihydro-4-(4-pyridinyl)- supplier

Name
5-(PYRIDIN-4-YL)-1H-IMIDAZOLE-2-THIOL
EINECS
CAS No. 146366-04-3
Density 1.39 g/cm³
Solubility
Melting Point
Formula C₈H₇N₃S
Boiling Point 333.119 °C at 760 mmHg
Molecular Weight 177.23
Flash Point 155.265 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(Pyridin-4-yl)-1,3-dihydro-2H-imidazole-2-thione;4-(Pyridin-4-yl)-1H-imidazole-2(3H)-thione;5-(4-Pyridyl)imidazole-2-thiol;5-(Pyridin-4-yl)-1H-imidazole-2-thiol;
PSA 80.37000
LogP 1.76040

2H-Imidazole-2-thione,1,3-dihydro-4-(4-pyridinyl)- Specification

The 2H-Imidazole-2-thione,1,3-dihydro-4-(4-pyridinyl)-, with the CAS registry number 146366-04-3, is also known as 5-(Pyridin-4-yl)-1H-imidazole-2-thiol. This chemical's molecular formula is C₈H₇N₃S and molecular weight is 177.23. What's more, its systematic name is 4-pyridin-4-yl-1,3-dihydro-2H-imidazole-2-thione.

Physical properties of 2H-Imidazole-2-thione,1,3-dihydro-4-(4-pyridinyl)- are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 21; (8)ACD/KOC (pH 7.4): 73; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.04 Å²; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 50.495 cm³; (15)Molar Volume: 127.489 cm³; (16)Polarizability: 20.018×10^-24cm³; (17)Surface Tension: 76.391 dyne/cm; (18)Density: 1.39 g/cm³; (19)Flash Point: 155.265 °C; (20)Enthalpy of Vaporization: 57.595 kJ/mol; (21)Boiling Point: 333.119 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2NC(\c1ccncc1)=C/N2
(2)InChI: InChI=1S/C8H7N3S/c12-8-10-5-7(11-8)6-1-3-9-4-2-6/h1-5H,(H2,10,11,12
(3)InChIKey: KQGPQDMPQIWCMX-UHFFFAOYSA-N

Product Name

5-(PYRIDIN-4-YL)-1H-IMIDAZOLE-2-THIOL

2H-Imidazole-2-thione,1,3-dihydro-4-(4-pyridinyl)- Specification

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