2-Amino-5-ethyl-1,3,4-thiadiazole

The CAS register number of 2-Amino-5-ethyl-1,3,4-thiadiazole is 14068-53-2. It also can be called as 1,3,4-Thiadiazole, 2-amino-5-ethyl- and the IUPAC name about this chemical is 5-ethyl-1,3,4-thiadiazol-2-amine. The molecular formula about this chemical is C₄H₇N₃S and the molecular weight is 129.18. It belongs to the following product categories which include Amines; Oxadiazoles & Thiadiazoles; API intermediates; Oxadiazoles & Thiadiazoles; Building Blocks; Heterocyclic Building Blocks; Thiadiazoles and so on. This chemical can be used in synthesis of dyes and azole drugs.

Physical properties about 2-Amino-5-ethyl-1,3,4-thiadiazole are: (1)ACD/LogP: 0.37; (2)ACD/LogD (pH 5.5): 0.37; (3)ACD/LogD (pH 7.4): 0.37; (4)ACD/BCF (pH 5.5): 1.12; (5)ACD/BCF (pH 7.4): 1.13; (6)ACD/KOC (pH 5.5): 37.73; (7)ACD/KOC (pH 7.4): 37.92; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 57.26Ų; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 34.6 cm³; (14)Molar Volume: 100.4 cm³; (15)Polarizability: 13.71x10^-24cm³; (16)Surface Tension: 61.3 dyne/cm; (17)Enthalpy of Vaporization: 50.52 kJ/mol; (18)Boiling Point: 267.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00826 mmHg at 25°C.

Preparation: this chemical can be prepared by propionic acid and thiosemicarbazide. This reaction will need reagent conc.H₂SO₄. The yield is about 80%.

Uses of 2-Amino-5-ethyl-1,3,4-thiadiazole: it can be used to produce N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-2,2,2-trifluoro-acetamide with trifluoroacetic acid anhydride. This reaction will need solvent toluene. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, please do not breathe dust. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1nc(sc1CC)N
(2)InChI: InChI=1/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
(3)InChIKey: QXTRPGAMVIONMK-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
(5)Std. InChIKey: QXTRPGAMVIONMK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intravenous	810mg/kg (810mg/kg)		Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 211, Pg. 367, 1950.