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Basic Information
CAS No.: 54346-18-8
Name: 2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one
Article Data: 18
Molecular Structure:
Molecular Structure of 54346-18-8 (2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one)
Formula: C6H6N4OS
Molecular Weight: 182.206
Synonyms: Pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one, 2-(methylthio)-;
Density: 1.688 g/cm3
PSA: 88.35000
LogP: 0.13950
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  • 2-(METHYLSULFANYL)-1H,4H-PYRAZOLO[1,5-A][1,3,5]TRIAZIN-4-ONE

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    2-(METHYLSULFANYL)-1H,4H-PYRAZOLO[1,5-A][1,3,5]TRIAZIN-4-ONE

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    Known for its best quality and competitve price, this chemicals we offered is widely appreciated by our customers.Appearance:yellow to white solid Storage:keep sealed and keep from direct light Package:According client's requirements Application:Phar

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

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    2-(methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one C6H6N4OS Mol. Wt.: 182.2

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Specification

The 2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one, with the CAS registry number 54346-18-8, is also known as Pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one, 2-(methylthio)-. This chemical's molecular formula is C6H6N4OS and molecular weight is 182.21. What's more, its systematic name is 2-(Methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one.

Physical properties of 2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 20; (6)ACD/KOC (pH 7.4): 20; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 84.58 Å2; (11)Index of Refraction: 1.813; (12)Molar Refractivity: 46.691 cm3; (13)Molar Volume: 107.918 cm3; (14)Polarizability: 18.51×10-24 cm3; (15)Surface Tension: 74.892 dyne/cm Density: 1.688 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CSC1=NC(=O)N2C(=N1)C=CN2
(2)InChI: InChI=1S/C6H6N4OS/c1-12-5-8-4-2-3-7-10(4)6(11)9-5/h2-3,7H,1H3
(3)InChIKey: OJEADPQRWAHJNX-UHFFFAOYSA-N