Hydrazinecarbothioamide,N-(2-nitrophenyl)- supplier

Name
4-(2-NITROPHENYL)-3-THIOSEMICARBAZIDE
EINECS
CAS No. 73305-12-1
Article Data1
CAS DataBase
Density 1.535 g/cm³
Solubility
Melting Point 164-165°C (dec.)
Formula C₇H₈N₄O₂S
Boiling Point 368.1 °C at 760 mmHg
Molecular Weight 212.232
Flash Point 176.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(2-nitrophenyl)hydrazinecarbothioamide;Hydrazinecarbothioamide, N-(2-nitrophenyl)-;N-(2-Nitrophenyl)hydrazinecarbothioamide;4-(2-Nitrophenyl)-3-thiosemicarbazide;hydrazino[(2-nitrophenyl)amino]methane-1-thione;
PSA 127.99000
LogP 2.44230

Hydrazinecarbothioamide,N-(2-nitrophenyl)- Specification

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

Product Name

4-(2-NITROPHENYL)-3-THIOSEMICARBAZIDE

Hydrazinecarbothioamide,N-(2-nitrophenyl)- Specification

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