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63059-40-5

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Basic Information
CAS No.: 63059-40-5
Name: 7-Hydroxy-5-methyl-2-(methylthio)-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylic acid
Molecular Structure:
Molecular Structure of 63059-40-5 (7-Hydroxy-5-methyl-2-(methylthio)-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylic acid)
Formula: C8H8N4O3S
Molecular Weight: 240.23912
Synonyms: 5-Carboxy-4-hydroxy-6-methyl-2-methylthio-1,3,3a,7-tetraazaindene;[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylicacid, 7-hydroxy-5-methyl-2-(methylthio)-;
EINECS: 263-817-3
Density: 1.32 g/cm3
Boiling Point: 390.7°C at 760 mmHg
Flash Point: 190.1°C
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  • 7-Hydroxy-5-methyl-2-(methylthio)-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylic acid

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    63059-40-5

    7-Hydroxy-5-methyl-2-(methylthio)-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylic acid

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  • 1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID 7-HYDROXY-5-METHYL-2-(METHYLTHIO)-CAS

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    1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID 7-HYDROXY-5-METHYL-2-(METHYLTHIO)-CAS

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    1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID 7-HYDROXY-5-METHYL-2-(METHYLTHIO)-CASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by ex

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Specification

The 7-Hydroxy-5-methyl-2-(methylthio)-1, 2, 4-triazolo[1, 5-a]pyrimidine-6-carboxylic acid, with the CAS registry number 63059-40-5, is also known as [1, 2, 4]Triazolo[1, 5-a]pyrimidine-6-carboxylicacid, 7-hydroxy-5-methyl-2-(methylthio)-. Its EINECS registry number is 263-817-3. This chemical's molecular formula is C8H8N4O3S and molecular weight is 240.23912. What's more, its IUPAC name is 5-Methyl-2-methylsulfanyl-7-oxo-1H-[1, 2, 4]triazolo[1, 5-a]pyrimidine-6-carboxylic acid.

Physical properties about 7-Hydroxy-5-methyl-2-(methylthio)-1, 2, 4-triazolo[1, 5-a]pyrimidine-6-carboxylic acid are: (1)ACD/LogP: -0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.38; (4)ACD/LogD (pH 7.4): -0.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.72; (8)ACD/KOC (pH 7.4): 14.7; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 102.45 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 73.17 cm3; (15)Molar Volume: 238.1 cm3; (16)Polarizability: 29×10-24 cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.32 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1N(OC(=O)C(NC(=O)OC(C)(C)C)C(O)C)C(=O)CC1
(2) InChI: InChI=1/C13H20N2O7/c1-7(16)10(14-12(20)21-13(2,3)4)11(19)22-15-8(17)5-6-9(15)18/h7,10,16H,5-6H2,1-4H3,(H,14,20)
(3) InChIKey: AHKOXQQXRXTKKD-UHFFFAOYAG