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The Hydrazinecarbothioamide,N-(2-nitrophenyl)-, with the CAS registry number 73305-12-1, has the systematic name and IUPAC name of N-(2-nitrophenyl)hydrazinecarbothioamide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H8N4O2S.
The characteristics of Hydrazinecarbothioamide,N-(2-nitrophenyl)- are as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.67; (6)ACD/BCF (pH 7.4): 4.66; (7)ACD/KOC (pH 5.5): 104.91; (8)ACD/KOC (pH 7.4): 104.66; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 87.63 Å2; (13)Index of Refraction: 1.759; (14)Molar Refractivity: 56.82 cm3; (15)Molar Volume: 138.2 cm3; (16)Polarizability: 22.52×10-24cm3; (17)Surface Tension: 89.5 dyne/cm; (18)Density: 1.535 g/cm3; (19)Flash Point: 176.4 °C; (20)Enthalpy of Vaporization: 61.47 kJ/mol; (21)Boiling Point: 368.1 °C at 760 mmHg; (22)Vapour Pressure: 1.31E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C(Nc1ccccc1[N+]([O-])=O)NN
(2)InChI: InChI=1/C7H8N4O2S/c8-10-7(14)9-5-3-1-2-4-6(5)11(12)13/h1-4H,8H2,(H2,9,10,14)
(3)InChIKey: SCSGXHUQNKDYPY-UHFFFAOYAE