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118430-78-7

Basic Information
CAS No.: 118430-78-7
Name: 1-METHYL-3-(2-THIENYL)-1H-PYRAZOL-5-AMINE
Molecular Structure:
Molecular Structure of 118430-78-7 (1-METHYL-3-(2-THIENYL)-1H-PYRAZOL-5-AMINE)
Formula: C8H9N3S
Molecular Weight: 179.246
Synonyms: 1-Methyl-3-thiophen-2-yl-1H-pyrazol-5-amine;5-Amino-1-methyl-3-(2-thienyl)pyrazle;5-Amino-1-methyl-3-(2-thienyl)pyrazole;
Density: 1.37 g/cm3
Melting Point: 137-140°C
Boiling Point: 370.3 °C at 760 mmHg
Flash Point: 177.7 °C
Hazard Symbols: R36/37/38:;
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 72.08000
LogP: 2.31200
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Specification

The 1H-Pyrazol-5-amine,1-methyl-3-(2-thienyl)-, with the CAS registry number 118430-78-7, is also known as 1-Methyl-3-thiophen-2-yl-1H-pyrazol-5-amine. This chemical's molecular formula is C8H9N3S and molecular weight is 179.24. What's more, its IUPAC name is 2-methyl-5-thiophen-2-ylpyrazol-3-amine.

Physical properties of 1H-Pyrazol-5-amine,1-methyl-3-(2-thienyl)- are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.34; (8)ACD/KOC (pH 7.4): 29.45; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.3 Å2; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 50.86 cm3; (15)Molar Volume: 130.1 cm3; (16)Polarizability: 20.16×10-24cm3; (17)Surface Tension: 56.3 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 177.7 °C; (20)Enthalpy of Vaporization: 61.72 kJ/mol; (21)Boiling Point: 370.3 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: n1n(c(N)cc1c2sccc2)C
(2)Std. InChI: InChI=1S/C8H9N3S/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3
(3)Std. InChIKey: NFTITKUYTQZKIZ-UHFFFAOYSA-N