Reported in EPA TSCA Inventory.

The N,N'-Dimethylthiourea, with the CAS registry number 534-13-4, is also known as N,N′-Dimethylthiourea. It belongs to the product categories of API Intermediates; Organic Building Blocks; Sulfur Compounds; Thioureas; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS registry number is 208-588-2. This chemical's molecular formula is C₃H₈N₂S and molecular weight is 104.17. What's more, both its IUPAC name and systematic name are the same which is called 1,3-Dimethylthiourea. It should be stored in a cool, dry and well-ventilated place.

Physical properties about N,N'-Dimethylthiourea are: (1)ACD/LogP: -0.346; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 15.44; (8)ACD/KOC (pH 7.4): 15.44; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 56.15 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 30.427 cm³; (15)Molar Volume: 100.676 cm³; (16)Surface Tension: 40.50 dyne/cm; (17)Density: 1.035 g/cm³; (18)Flash Point: 27.319 °C; (19)Enthalpy of Vaporization: 35.962 kJ/mol; (20)Boiling Point: 121.561 °C at 760 mmHg; (21)Vapour Pressure: 14.50 mmHg at 25 °C.

Preparation of N,N'-Dimethylthiourea: this chemical can be prepared by Isothiocyanatomethane with Methylamine. This response type is addition solid-gas reaction. It needs temperature of 0 °C. The yield is 100 %.

Uses of N,N'-Dimethylthiourea: (1) it is used as intermediate in the preparation of arginine derivatives; (2) it is used to produce other chemicals. For example, it can react with Methyl-phenyl-malonyl chloride to get 1,3,5-Trimethyl-5-phenyl-2-thio-barbituric acid. The reaction occurs with reagent triethylamine and other condition of heating for 2 hours. The yield is 70 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels. It is toxic if swallowed and may cause sensitisation by skin contacting. Therefore, you should wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(NC)NC
(2) InChI: InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
(3) InChIKey: VLCDUOXHFNUCKK-UHFFFAOYSA-N

The toxicity data is as follows: