Hydrazodicarbothioamide

NCI Carcinogenesis Bioassay (feed); No Evidence: mouse, rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-132,79 . . Reported in EPA TSCA Inventory.

The Hydrazodicarbothioamide, with the CAS registry number 142-46-1, is also known as Dithiocarbamoylhydrazine. It belongs to the product categories of Organic Building Blocks; Sulfur Compounds; Thioureas. Its EINECS number is 205-537-6. This chemical's molecular formula is C₂H₆N₄S₂ and molecular weight is 150.23. What's more, its systematic name is 1,2-Hydrazinedicarbothioamide. Its classification codes are: (1)Agricultural Chemical; (2)Fungicide, bactericide, wood preservative; (3)Mutation data; (4)Tumor data. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxidants. It is used as pesticides and pharmaceutical intermediates.

Physical properties of Hydrazodicarbothioamide are: (1)ACD/LogP: -0.639; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.64; (4)ACD/LogD (pH 7.4): -0.64; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 10.69; (8)ACD/KOC (pH 7.4): 10.68; (9)#H bond acceptors: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 140.28 Å²; (13)Index of Refraction: 1.771; (14)Molar Refractivity: 40.154 cm³; (15)Molar Volume: 96.512 cm³; (16)Polarizability: 15.918×10^-24cm³; (17)Surface Tension: 119.06 dyne/cm; (18)Density: 1.557 g/cm³; (19)Flash Point: 130.133 °C; (20)Enthalpy of Vaporization: 53.101 kJ/mol; (21)Boiling Point: 291.563 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

Preparation: this chemical can be prepared by thiocyanic acid; ammonium salt at the temperature of 120 °C. This reaction will need reagent NH₂NH₂·HCl and solvent H₂O with the reaction time of 15 hours. The yield is about 58%.

Uses of Hydrazodicarbothioamide: it can be used to produce 2,2'-diazane-1,2-diyl-bis-thiazole at the temperature of 55 °C. It will need reagent 35% HCl and solvent methanol with the reaction time of 15 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(N)NNC(=S)N
(2)Std. InChI: InChI=1S/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
(3)Std. InChIKey: KCOYHFNCTWXETP-UHFFFAOYSA-N

The toxicity data is as follows: