5-(Methylsulfonyl)-4H-1,2,4-triazol-3-amine supplier

Name
5-(Methylsulfonyl)-4H-1,2,4-triazol-3-amine
EINECS
CAS No. 88982-32-5
Density 1.65 g/cm³
Solubility
Melting Point
Formula C₃H₆N₄O₂S
Boiling Point 481.8 °C at 760 mmHg
Molecular Weight 162.172
Flash Point 245.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms s-Triazole,3-amino-5-(methylsulfonyl)- (7CI);
PSA 110.84000
LogP -0.19870

5-(Methylsulfonyl)-4H-1,2,4-triazol-3-amine Specification

The cas register number of 5-(Methylsulfonyl)-4H-1,2,4-triazol-3-amine is 88982-32-5. It also can be called as 4H-1,2,4-triazol-3-amine, 5-(methylsulfonyl)- and the Systematic name about this chemical is 5-(methylsulfonyl)-1H-1,2,4-triazol-3-amine.

Physical properties about 5-(Methylsulfonyl)-4H-1,2,4-triazol-3-amine are: (1)ACD/LogP: -1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -2.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.1; (8)ACD/KOC (pH 7.4): 1.2; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 76.47Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 33.33 cm³; (15)Molar Volume: 98.2 cm³; (16)Surface Tension: 91.2 dyne/cm; (17)Density: 1.65 g/cm³; (18)Flash Point: 245.2 °C; (19)Enthalpy of Vaporization: 74.66 kJ/mol; (20)Boiling Point: 481.8 °C at 760 mmHg; (21)Vapour Pressure: 1.93E-09 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=S(=O)(c1nc(nn1)N)C
2.InChI: InChI=1/C3H6N4O2S/c1-10(8,9)3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)
3.InChIKey: QLBGRINOCGRGMD-UHFFFAOYAD
4.Std. InChI: InChI=1S/C3H6N4O2S/c1-10(8,9)3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)

Product Name

5-(Methylsulfonyl)-4H-1,2,4-triazol-3-amine

5-(Methylsulfonyl)-4H-1,2,4-triazol-3-amine Specification

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