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51108-35-1

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Basic Information
CAS No.: 51108-35-1
Name: 1-Methyl-3-(methylthio)-1H-1,2,4-triazol-5-amine
Molecular Structure:
Molecular Structure of 51108-35-1 (1-Methyl-3-(methylthio)-1H-1,2,4-triazol-5-amine)
Formula: C4H8N4S
Molecular Weight: 144.2
Synonyms: 1-METHYL-3-(METHYLTHIO)-1H-1,2,4-TRIAZOL-5-AMINE;1H-1,2,4-Triazol-5-amine,1-methyl-3-(methylthio)-(9CI);1-Methyl-3-(methylthio)-1H-1,2,4-triazol-5-amine, Tech.
Density: 1.47 g/cm3
Melting Point: 110-111 °C(Solv: ethyl acetate (141-78-6))
Boiling Point: 354.1 °C at 760 mmHg
Flash Point: 167.9 °C
PSA: 82.03000
LogP: 0.70040
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Specification

The 1-Methyl-3-(methylthio)-1H-1,2,4-triazol-5-amine, with the CAS registry number 51108-35-1, belongs to the product category of Thiol. This chemical's molecular formula is C4H8N4S and molecular weight is 144.1981. What's more, its systematic name is called 1-Methyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-amine.

Physical properties about this chemical are: (1)ACD/LogP: 0.16; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.52; (8)ACD/KOC (pH 7.4): 29.14; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 59.25 Å2; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 37.84 cm3; (15)Molar Volume: 97.9 cm3; (16)Polarizability: 15×10-24 cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 167.9 °C; (20)Enthalpy of Vaporization: 59.91 kJ/mol; (21)Boiling Point: 354.1 °C at 760 mmHg; (22)Vapour Pressure: 3.44E-05 mmHg at 25 °C.

Preparation of 1-Methyl-3-(methylthio)-1H-1,2,4-triazol-5-amine: this chemical can be prepared by Sulfuric acid dimethyl ester and 5-Amino-1-methyl-1,2-dihydro-[1,2,4]triazole-3-thione.

1-Methyl-3-(methylthio)-1h-1,2,4-triazol-5-amine can be prepared by Sulfuric acid dimethyl ester and 5-Amino-1-methyl-1,2-dihydro-[1,2,4]triazole-3-thione

This reaction needs 1 N NaOH and solvent Methanol. The react temperature should below 25 °C. The yield is 76 %.

Uses of 1-Methyl-3-(methylthio)-1H-1,2,4-triazol-5-amine: it is used to produce other chemicals. For example, it is used to produce Benzylidene-(2-methyl-5-methylsulfanyl-2H-[1,2,4]triazol-3-yl)-amine.

1-Methyl-3-(methylthio)-1h-1,2,4-triazol-5-amine is used to produce Benzylidene-(2-methyl-5-methylsulfanyl-2H-[1,2,4]triazol-3-yl)-amine

The reaction needs reagent Piperidine and solvent Ethanol at the condition of heating for 3 hours. The yield is 37 %.

You can still convert the following datas into molecular structure:
(1) SMILES: S(c1nc(N)n(n1)C)C
(2) InChI: InChI=1/C4H8N4S/c1-8-3(5)6-4(7-8)9-2/h1-2H3,(H2,5,6,7)
(3) InChIKey: IPNJAXGQPBLGQA-UHFFFAOYAC