4-BUTYL-3-THIOSEMICARBAZIDE

The Hydrazinecarbothioamide,N-butyl- with CAS registry number of 6610-31-7 is also known as (Butylamino)hydrazinomethane-1-thione. The IUPAC name is 1-Amino-3-butylthiourea. In addition, the formula is C₅H₁₃N₃S and the molecular weight is 147.24.

Physical properties about Hydrazinecarbothioamide,N-butyl- are: (1)ACD/LogP: 0.77; (2)ACD/LogD (pH 5.5): 0.77; (3)ACD/LogD (pH 7.4): 0.77; (4)ACD/BCF (pH 5.5): 2.28; (5)ACD/BCF (pH 7.4): 2.28; (6)ACD/KOC (pH 5.5): 62.84; (7)ACD/KOC (pH 7.4): 62.76; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 43.22 cm³; (13)Molar Volume: 137.3 cm³; (14)Surface Tension: 48.5 dyne/cm; (15)Density: 1.071 g/cm³; (16)Flash Point: 90.2 °C; (17)Enthalpy of Vaporization: 46.2 kJ/mol; (18)Boiling Point: 225.5 °C at 760 mmHg; (19)Vapour Pressure: 0.086 mmHg at 25 °C.

Preparation of Hydrazinecarbothioamide,N-butyl-: it is prepared by reaction of 1-isothiocyanato-butane. The reaction needs reagent hydrazine and solvent methanol at the temperature of 0 °C for 1 hour. The yield is about 94%.

Uses of Hydrazinecarbothioamide,N-butyl-: it is used to produce 3,5-dimethyl-pyrazole-1-carbothioic acid butylamide by reaction with pentane-2,4-dione. The reaction occurs with solvent ethanol and other condition of heating for 1 hour. The yield is about 70%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCNC(=S)NN
2. InChI: InChI=1S/C5H13N3S/c1-2-3-4-7-5(9)8-6/h2-4,6H2,1H3,(H2,7,8,9)
3. InChIKey: KNGDMOLRXYKGAD-UHFFFAOYSA-N