1H-Pyrazol-5-amine,1-methyl-3-(2-thienyl)- supplier

Name
1-METHYL-3-(2-THIENYL)-1H-PYRAZOL-5-AMINE
EINECS
CAS No. 118430-78-7
Density 1.37 g/cm³
Solubility
Melting Point 137-140°C
Formula C₈H₉N₃S
Boiling Point 370.3 °C at 760 mmHg
Molecular Weight 179.246
Flash Point 177.7 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:;
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;
PSA 72.08000
LogP 2.31200

1H-Pyrazol-5-amine,1-methyl-3-(2-thienyl)- 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

Product Name

1-METHYL-3-(2-THIENYL)-1H-PYRAZOL-5-AMINE

1H-Pyrazol-5-amine,1-methyl-3-(2-thienyl)- Specification

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