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Benzoicacid, 4-[(hydrazinylthioxomethyl)amino]-

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Name

Benzoicacid, 4-[(hydrazinylthioxomethyl)amino]-

EINECS N/A
CAS No. 206559-48-0 Density 1.52 g/cm3
PSA 119.47000 LogP 1.70910
Solubility N/A Melting Point 204-206 °C
Formula C8H9N3O2S Boiling Point 409.9 °C at 760 mmHg
Molecular Weight 211.244 Flash Point 201.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 206559-48-0 (4-(4-CARBOXYPHENYL)-3-THIOSEMICARBAZIDE) Hazard Symbols N/A
Synonyms

Benzoicacid, 4-[(hydrazinothioxomethyl)amino]- (9CI);4-[(Hydrazinocarbonothioyl)amino]benzoic acid;4-(4-Carboxyphenyl)-3-thiosemicarbazide;

Article Data 2

Benzoicacid, 4-[(hydrazinylthioxomethyl)amino]- Specification

The Benzoicacid, 4-[(hydrazinylthioxomethyl)amino]-, with the CAS registry number 206559-48-0, is also known as 4-(4-Carboxyphenyl)-3-thiosemicarbazide. This chemical's molecular formula is C8H9N3O2S and molecular weight is 211.24. What's more, its systematic name is 4-[(Hydrazinocarbonothioyl)amino]benzoic acid. 

Physical properties of Benzoicacid, 4-[(hydrazinylthioxomethyl)amino]- are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): -1.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.65; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.11 Å2; (13)Index of Refraction: 1.76; (14)Molar Refractivity: 57.21 cm3; (15)Molar Volume: 138.9 cm3; (16)Polarizability: 22.68×10-24 cm3; (17)Surface Tension: 93.4 dyne/cm; (18)Density: 1.52 g/cm3; (19)Flash Point: 201.7 °C; (20)Enthalpy of Vaporization: 69.82 kJ/mol; (21)Boiling Point: 409.9 °C at 760 mmHg; (22)Vapour Pressure: 1.87E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It 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 wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC(=CC=C1C(=O)O)NC(=S)NN
(2)InChI: InChI=1S/C8H9N3O2S/c9-11-8(14)10-6-3-1-5(2-4-6)7(12)13/h1-4H,9H2,(H,12,13)(H2,10,11,14)
(3)InChIKey: DKMVMRDKDAUDOS-UHFFFAOYSA-N

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