1,3,4-Thiadiazol-2-amine,5-propyl- supplier

Name
5-PROPYL-[1,3,4]THIADIAZOL-2-YLAMINE
EINECS
CAS No. 39223-04-6
Article Data28
CAS DataBase
Density 1.224 g/cm³
Solubility
Melting Point 203 °C(Solv: water (7732-18-5))
Formula C₅H₉N₃S
Boiling Point 277.2 °C at 760 mmHg
Molecular Weight 143.213
Flash Point 121.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
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;
PSA 80.04000
LogP 1.65400

1,3,4-Thiadiazol-2-amine,5-propyl- Specification

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.

1,3,4-Thiadiazol-2-amine,5-propyl- can be prepared by thiosemicarbazide and butyric acid by heating

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%.

1,3,4-Thiadiazol-2-amine,5-propyl- can be used to produce 2,2,2-trifluoro-N-(5-propyl-[1,3,4]thiadiazol-2-yl)-acetamide at the ambient temperature

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

Product Name

5-PROPYL-[1,3,4]THIADIAZOL-2-YLAMINE

1,3,4-Thiadiazol-2-amine,5-propyl- Specification

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