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CAS No.: | 39223-04-6 |
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Name: | 5-PROPYL-[1,3,4]THIADIAZOL-2-YLAMINE |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C5H9N3S |
Molecular Weight: | 143.213 |
Synonyms: | 1,3,4-Thiadiazole,2-amino-5-propyl- (6CI);2-Amino-5-propyl-1,3,4-thiadiazole;5-Amino-2-propyl-1,3,4-thiadiazole;5-Propyl-1,3,4-thiadiazole-2-amine;5-Propyl-2-amino-1,3,4-thiadiazole;5-Propyl-[1,3,4]thiadiazol-2-ylamine; |
Density: | 1.224 g/cm3 |
Melting Point: | 203 °C(Solv: water (7732-18-5)) |
Boiling Point: | 277.2 °C at 760 mmHg |
Flash Point: | 121.5 °C |
Hazard Symbols: | Xi |
PSA: | 80.04000 |
LogP: | 1.65400 |
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The 1,3,4-Thiadiazol-2-amine,5-propyl-, with the CAS registry number 39223-04-6, is also known as 5-Propyl-[1,3,4]thiadiazol-2-ylamine. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C5H9N3S and molecular weight is 143.21. What's more, its systematic name is 5-Propyl-1,3,4-thiadiazol-2-amine.
Physical properties of 1,3,4-Thiadiazol-2-amine,5-propyl- are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.84; (6)ACD/BCF (pH 7.4): 2.86; (7)ACD/KOC (pH 5.5): 73.44; (8)ACD/KOC (pH 7.4): 73.79; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.26 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 39.23 cm3; (15)Molar Volume: 116.9 cm3; (16)Polarizability: 15.55×10-24cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 121.5 °C; (20)Enthalpy of Vaporization: 51.58 kJ/mol; (21)Boiling Point: 277.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00458 mmHg at 25°C.
Preparation: this chemical can be prepared by thiosemicarbazide and butyric acid by heating. This reaction will need reagent H2SO4.
Uses of 1,3,4-Thiadiazol-2-amine,5-propyl-: it can be used to produce 2,2,2-trifluoro-N-(5-propyl-[1,3,4]thiadiazol-2-yl)-acetamide at the ambient temperature. It will need reagent diisopropylethylamine and solvent toluene. The yield is about 83%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC1=NN=C(S1)N
(2)InChI: InChI=1S/C5H9N3S/c1-2-3-4-7-8-5(6)9-4/h2-3H2,1H3,(H2,6,8)
(3)InChIKey: NLQURINLKRAGIF-UHFFFAOYSA-N