N,N-Dimethylthioformamide

The N,N-Dimethylthioformamide, with the CAS registry number 758-16-7, is also known as Dimethylthioformamide. It belongs to the product categories of Organic Building Blocks; Sulfur Compounds; Thiocarbonyl Compounds. Its EINECS registry number is 212-060-7. This chemical's molecular formula is C₃H₇NS and molecular weight is 89.15. What's more, its systematic name and its IUPAC name are the same which is called N,N-Dimethylmethanethioamide. Additionally, it should be preserved hermetically and put in a cool, dry place.

Physical properties about N,N-Dimethylthioformamide: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.91; (8)ACD/KOC (pH 7.4): 22.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.33 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 27.11 cm³; (15)Molar Volume: 90.4 cm³; (16)Surface Tension: 39.9 dyne/cm; (17)Density: 0.985 g/cm³; (18)Flash Point: 89.8 °C; (19)Enthalpy of Vaporization: 46.14 kJ/mol; (20)Boiling Point: 224.9 °C at 760 mmHg; (21)Vapour Pressure: 0.089 mmHg at 25 °C.

Preparation of N,N-Dimethylthioformamide: It can be obtained by N,N-Dimethyl-formamide and 2,4-Bis-(trifluormethyl)-benzoesaeure. The reaction occurs with reagent 2,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiaphosphetane 2,4-disulfide and solvent Tetrahydrofuran at temperature of 20 °C for 5 minutes. The yield is 96%.

Uses of N,N-Dimethylthioformamide: it is used to produce other chemicals. For example, it can react with Benzoic acid methyl ester to get Phenylthioglyoxylsaeuredimethylamid. The reaction occurs with reagent LDA and solvent Tetrahydrofuran at temperature of -78°C. The yield is 68 %.

When you are dealing with this chemical, you should be very careful. If in contacting with skin and  swallowed, this chemical may cause damage to health. Therefore, you should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: S=CN(C)C
(2)InChI: InChI=1/C3H7NS/c1-4(2)3-5/h3H,1-2H3
(3)InChIKey: SKECXRFZFFAANN-UHFFFAOYAV