CAS No.6815-00-5,2-PHENYLETHYLTHIOUREA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6815-00-5
Name:	2-PHENYLETHYLTHIOUREA
Article Data:	13

Formula:	C₉H₁₂N₂S
Molecular Weight:	180.274
Synonyms:	Thiourea,(2-phenylethyl)- (9CI);Urea, 1-phenethyl-2-thio- (6CI,7CI,8CI);1-(2-Phenylethyl)thiourea;1-Phenethylthiourea;N-Phenethylthiourea;Phenethylthiourea;N-(2-Phenylethyl)thiourea;
Density:	1.153 g/cm³
Melting Point:	150 °C
Boiling Point:	317.1 °C at 760 mmHg
Flash Point:	145.5 °C
Hazard Symbols:	R22:Harmful if swallowed.;
Risk Codes:	20/21/22-36/37/38
Safety:	22-26-36/37/39
Transport Information:	2811
PSA:	70.14000
LogP:	2.15350

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Specification

The CAS register number of Thiourea,N-(2-phenylethyl)- is 6815-00-5. It also can be called as 1-Phenethylthiourea and the systematic name about this chemical is 1-(2-phenylethyl)thiourea. The molecular formula about this chemical is C₉H₁₂N₂S and the molecular weight is 180.27.

Physical properties about Thiourea,N-(2-phenylethyl)- are: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 1.48; (3)ACD/LogD (pH 7.4): 1.48; (4)ACD/BCF (pH 5.5): 7.87; (5)ACD/BCF (pH 7.4): 7.87; (6)ACD/KOC (pH 5.5): 152.42; (7)ACD/KOC (pH 7.4): 152.42; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 38.57 Å²; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 54.85 cm³; (14)Molar Volume: 156.2 cm³; (15)Polarizability: 21.74x10^-24cm³; (16)Surface Tension: 55.8 dyne/cm; (17)Density: 1.153 g/cm³; (18)Flash Point: 145.5 °C; (19)Enthalpy of Vaporization: 55.84 kJ/mol; (20)Boiling Point: 317.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000395 mmHg at 25 °C.

Uses of Thiourea,N-(2-phenylethyl)-: it can be used to produce C₁₄H₂₀N₂O₂S with di(tert-butyl) carbonate. This reaction will need reagent of NaH and solvent of tetrahydrofuran. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. When you are using it, do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(NCCc1ccccc1)N
(2)InChI: InChI=1/C9H12N2S/c10-9(12)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11,12)
(3)InChIKey: OFVGPHQYOCKLLM-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H12N2S/c10-9(12)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11,12)
(5)Std. InChIKey: OFVGPHQYOCKLLM-UHFFFAOYSA-N