Hydrazinecarbothioamide,monohydrochloride (9CI) (4346-94-5)

The Thiosemicarbazide hydrochloride is an organic compound with the formula CH₅N₃S^.HCl. The IUPAC name of this chemical is aminothiourea hydrochloride. With the CAS registry number 4346-94-5, it is also named as Hydrazinecarbothioamide, monohydrochloride. Besides, it should be stored in a closed, dark, cool, dry place at room temperature.

Physical properties about Thiosemicarbazide hydrochloride are: (1)ACD/LogP: -1.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.15; (4)ACD/LogD (pH 7.4): -1.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.61; (8)ACD/KOC (pH 7.4): 5.6; (9)#H bond acceptors: 3; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.81 Å²; (13)Flash Point: 80 °C; (14)Enthalpy of Vaporization: 44.49 kJ/mol; (15)Boiling Point: 208.6 °C at 760 mmHg; (16)Vapour Pressure: 0.212 mmHg at 25°C.

Uses of Thiosemicarbazide hydrochloride: it can be used to produce 3,5-dimethyl-pyrazole-1-carbothioic acid amide. It will need solvent aq. ethanol. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.S=C(N)NN
(2)InChI: InChI=1/CH5N3S.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H
(3)InChIKey: LEHOGBUBQSGCOK-UHFFFAOYAL
(4)Std. InChI: InChI=1S/CH5N3S.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H
(5)Std. InChIKey: LEHOGBUBQSGCOK-UHFFFAOYSA-N

The toxicity data is as follows: