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206761-85-5

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Basic Information
CAS No.: 206761-85-5
Name: 4-(4-PHENOXYPHENYL)-3-THIOSEMICARBAZIDE
Molecular Structure:
Molecular Structure of 206761-85-5 (4-(4-PHENOXYPHENYL)-3-THIOSEMICARBAZIDE)
Formula: C13H13N3OS
Molecular Weight: 259.33
Synonyms: 4-(4-Phenoxyphenyl)-3-thiosemicarbazide;N-(4-Phenoxyphenyl)hydrazinecarbothioamide;3-Amino-1-(4-phenoxyphenyl)thiourea;ZINC00156330;AKOS000349028;CID2760348;1-Amino-3-(4-phenoxyphenyl)thiourea;
Density: 1.316 g/cm3
Melting Point: 140 °C (dec.)
Boiling Point: 400.3 °C at 760 mmHg
Flash Point: 195.9 °C
Hazard Symbols: R22:Harmful if swallowed.;
Risk Codes: 22
Safety: 22-36/37
PSA: 91.40000
LogP: 3.80320
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Specification

The Hydrazinecarbothioamide,N-(4-phenoxyphenyl)- with CAS registry number of 206761-85-5 is also known as N-(4-Phenoxyphenyl)hydrazinecarbothioamide. The IUPAC name is 1-Amino-3-(4-phenoxyphenyl)thiourea. In addition, the formula is C13H13N3OS and the molecular weight is 259.33.

Physical properties about Hydrazinecarbothioamide,N-(4-phenoxyphenyl)- are: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 2.96; (3)ACD/LogD (pH 7.4): 2.96; (4)ACD/BCF (pH 5.5): 104.3; (5)ACD/BCF (pH 7.4): 103.8; (6)ACD/KOC (pH 5.5): 968.92; (7)ACD/KOC (pH 7.4): 964.27; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.707; (12)Molar Refractivity: 76.72 cm3; (13)Molar Volume: 196.9 cm3; (14)Surface Tension: 65.7 dyne/cm; (15)Density: 1.316 g/cm3; (16)Flash Point: 195.9 °C; (17)Enthalpy of Vaporization: 65.11 kJ/mol; (18)Boiling Point: 400.3 °C at 760 mmHg; (19)Vapour Pressure: 1.29E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful if swallowed. During using it, wear suitable protective clothing and gloves. Besides, do not breathe dust.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NN
2. InChI: InChI=1S/C13H13N3OS/c14-16-13(18)15-10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H,14H2,(H2,15,16,18)
3. InChIKey: KIHDOYIABVFNJO-UHFFFAOYSA-N?