1,2,4-Triazolidin-3-one,4-methyl-5-thioxo- supplier

Name
5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-OL
EINECS
CAS No. 22244-61-7
Density 1.55 g/cm³
Solubility
Melting Point 210-212 °C
Formula C₃H₅N₃OS
Boiling Point 366.5 °Cat760mmHg
Molecular Weight 131.158
Flash Point 175.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bicarbamimide,N-methyl-1-thio- (6CI,8CI);5-Hydroxy-4-methyl-3-mercapto-4H-1,2,4-triazole;5-Hydroxy-4-methyl-4H-1,2,4-triazole-3-thiol;NSC 403811;
PSA 89.74000
LogP -0.19060

1,2,4-Triazolidin-3-one,4-methyl-5-thioxo- Specification

This chemical is called 1,2,4-Triazolidin-3-one,4-methyl-5-thioxo-, and its systematic name is 4-methyl-5-thioxo-1,2,4-triazolidin-3-one. With the molecular formula of C₃H₅N₃OS, its molecular weight is 131.16. The CAS registry number of this chemical is 22244-61-7. Additionally, its product category is Pyrazoles & Triazoles.

Other characteristics of the 1,2,4-Triazolidin-3-one,4-methyl-5-thioxo- can be summarised as followings: (1)ACD/LogP: -1.32; (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): 1.77; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 58.88 Å²; (11)Index of Refraction: 1.692; (12)Molar Refractivity: 32.29 cm³; (13)Molar Volume: 84.2 cm³; (14)Polarizability: 12.8×10^-24cm³; (15)Surface Tension: 83.9 dyne/cm; (16)Density: 1.55 g/cm³; (17)Flash Point: 175.4 °C; (18)Enthalpy of Vaporization: 63.7 kJ/mol; (19)Boiling Point: 366.5 °C at 760 mmHg; (20)Vapour Pressure: 6.92E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1NNC(=S)N1C
2.InChI: InChI=1/C3H5N3OS/c1-6-2(7)4-5-3(6)8/h1H3,(H,4,7)(H,5,8)
3.InChIKey: FDZKDNZAWDUCCO-UHFFFAOYAK

Product Name

5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-OL

1,2,4-Triazolidin-3-one,4-methyl-5-thioxo- Specification

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