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1017785-53-3

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Basic Information
CAS No.: 1017785-53-3
Name: 1H-Pyrazole-4-carboxylic acid, 5-amino-3-(methylthio)-1-phenyl-, ethyl ester
Molecular Structure:
Molecular Structure of 1017785-53-3 (1H-Pyrazole-4-carboxylic acid, 5-amino-3-(methylthio)-1-phenyl-, ethyl ester)
Formula: C13H15N3O2S
Molecular Weight: 277.3421
Density: 1.29 g/cm3
Boiling Point: 443.4 °C at 760 mmHg
Flash Point: 222 °C
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  • 1H-Pyrazole-4-carboxylic acid, 5-amino-3-(methylthio)-1-phenyl-, ethyl ester

  • Casno:

    1017785-53-3

    1H-Pyrazole-4-carboxylic acid, 5-amino-3-(methylthio)-1-phenyl-, ethyl ester

    Min.Order: 10 Gram

    FOB Price:  USD $ 0.0-0.0

    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

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  • 1H-Pyrazole-4-carboxylic acid, 5-amino-3-(methylthio)-1-phenyl-, ethyl ester

  • Casno:

    1017785-53-3

    1H-Pyrazole-4-carboxylic acid, 5-amino-3-(methylthio)-1-phenyl-, ethyl ester

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Specification

The 1H-Pyrazole-4-carboxylic acid, 5-amino-3-(methylthio)-1-phenyl-, ethyl ester is an organic compound with the formula C13H15N3O2S. With the CAS registry number 1017785-53-3, the systematic name of this chemical is ethyl 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carboxylate.

Physical properties about 1H-Pyrazole-4-carboxylic acid, 5-amino-3-(methylthio)-1-phenyl-, ethyl ester are: (1)ACD/LogP: 3.18; (2)ACD/LogD (pH 5.5): 3.18; (3)ACD/LogD (pH 7.4): 3.18; (4)ACD/BCF (pH 5.5): 154.02; (5)ACD/BCF (pH 7.4): 154.02; (6)ACD/KOC (pH 5.5): 1280.77; (7)ACD/KOC (pH 7.4): 1280.77; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 72.66 Å2; (12)Index of Refraction: 1.629; (13)Molar Refractivity: 75.96 cm3; (14)Molar Volume: 213.7 cm3; (15)Polarizability: 30.11×10-24cm3; (16)Surface Tension: 49.5 dyne/cm; (17)Density: 1.29 g/cm3; (18)Flash Point: 222 °C; (19)Enthalpy of Vaporization: 70.1 kJ/mol; (20)Boiling Point: 443.4 °C at 760 mmHg; (21)Vapour Pressure: 4.65E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2c(SC)nn(c1ccccc1)c2N
(2)InChI: InChI=1/C13H15N3O2S/c1-3-18-13(17)10-11(14)16(15-12(10)19-2)9-7-5-4-6-8-9/h4-8H,3,14H2,1-2H3
(3)InChIKey: DIVZUHGDJFOJDA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C13H15N3O2S/c1-3-18-13(17)10-11(14)16(15-12(10)19-2)9-7-5-4-6-8-9/h4-8H,3,14H2,1-2H3
(5)Std. InChIKey: DIVZUHGDJFOJDA-UHFFFAOYSA-N