4,4-DIMETHYL-3-THIOSEMICARBAZIDE

The Hydrazinecarbothioamide, N,N-dimethyl-, with the CAS registry number 6926-58-5, is also known as 4,4-Dimethyl-3-thiosemicarbazide and 4,4-Dimethylthiosemicarbazide. It belongs to the product categories of Thiocarbonyl Compounds; Organic Building Blocks; Sulfur Compounds. This chemical's molecular formula is C₃H₉N₃S and molecular weight is 119.19. What's more, its IUPAC name is called 3-Amino-1,1-dimethylthiourea.

Physical properties about this chemical are: (1)ACD/LogP: -0.30; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.3; (4)ACD/LogD (pH 7.4): -0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.36; (8)ACD/KOC (pH 7.4): 16.34; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.81 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 34.08 cm³; (15)Molar Volume: 102.7 cm³; (16)Surface Tension: 55.6 dyne/cm; (17)Density: 1.159 g/cm³; (18)Flash Point: 57.4 °C; (19)Enthalpy of Vaporization: 40.77 kJ/mol; (20)Boiling Point: 171.3 °C at 760 mmHg; (21)Vapour Pressure: 1.41 mmHg at 25 °C; (22)Melting Point: 153 °C.

Uses of Hydrazinecarbothioamide, N,N-dimethyl-: it is used to produce other chemicals. For example, it is used to produce Dimethyl-{5-[N'-(1-pyridin-2-yl-ethylidene)-hydrazino]-[1,3,4]thiadiazol-2-yl}-amine.

The reaction occurs with reagent Acetic acid. The yield is 59%.

When you are dealing with this chemical, you should be very careful. This chemical can cause damage to health at low levels. Therefore, you should wear suitable protective clothing, gloves, eye/face protection and suitable respiratory equipment. And in case of contact with skin, you should rinse immediately and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: suitable respiratory equipment
(2) InChI: InChI=1/C3H9N3S/c1-6(2)3(7)5-4/h4H2,1-2H3,(H,5,7)
(3) InChIKey: FCPHVJQWZFNNKD-UHFFFAOYAN