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105538-02-1

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Basic Information
CAS No.: 105538-02-1
Name: 3-AMINO-6-(THIOPHEN-3-YL)PYRIDAZINE
Article Data: 4
Molecular Structure:
Molecular Structure of 105538-02-1 (3-AMINO-6-(THIOPHEN-3-YL)PYRIDAZINE)
Formula: C8H7N3S
Molecular Weight: 177.23
Synonyms: 3-Amino-6-thien-3-ylpyridazine;
Density: 1.333 g/cm3
Boiling Point: 373.222 °C at 760 mmHg
Flash Point: 179.519 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
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PSA: 80.04000
LogP: 2.36850
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Specification

The 3-Pyridazinamine,6-(3-thienyl)-, with the CAS registry number 105538-02-1, is also known as 3-Amino-6-thien-3-ylpyridazine. This chemical's molecular formula is C8H7N3S and molecular weight is 177.2263. What's more, its systematic name is called 6-(Thiophen-3-yl)pyridazin-3-amine.

Physical properties about 3-Pyridazinamine,6-(3-thienyl)- are: (1)ACD/LogP: 1.21; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 27; (8)ACD/KOC (pH 7.4): 91; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 80.04 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 49.648 cm3; (15)Molar Volume: 132.925 cm3; (16)Polarizability: 19.682×10-24 cm3; (17)Surface Tension: 65.339 dyne/cm; (18)Density: 1.333 g/cm3; (19)Flash Point: 179.519 °C; (20)Enthalpy of Vaporization: 62.046 kJ/mol; (21)Boiling Point: 373.222 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1nnc(cc1)c2ccsc2
(2) InChI: InChI=1/C8H7N3S/c9-8-2-1-7(10-11-8)6-3-4-12-5-6/h1-5H,(H2,9,11)
(3) InChIKey: ZVCNZVHKKQNZRF-UHFFFAOYAZ