CAS No.13140-47-1,1-PHENYL-3-PROPYL-2-THIOUREA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13140-47-1
Name:	1-PHENYL-3-PROPYL-2-THIOUREA
Article Data:	8

Formula:	C₁₀H₁₄N₂S
Molecular Weight:	194.301
Synonyms:	1-Propyl-3-phenylthiourea;Urea,1-phenyl-3-propyl-2-thio- (7CI,8CI);N-Phenyl-N'-propylthiourea;NSC 131982;
Density:	1.128 g/cm³
Melting Point:	64-66°C
Boiling Point:	282.1 °C at 760 mmHg
Flash Point:	124.4 °C
PSA:	56.15000
LogP:	2.84690

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Specification

This chemical is called Thiourea,N-phenyl-N'-propyl-, and its systematic name is 1-Phenyl-3-propylthiourea. With the molecular formula of C₁₀H₁₄N₂S, its molecular weight is 194.30. The CAS registry number of the chemical is 13140-47-1.

Other characteristics of Thiourea,N-phenyl-N'-propyl- can be summarised as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.91; (6)ACD/BCF (pH 7.4): 17.91; (7)ACD/KOC (pH 5.5): 274.49; (8)ACD/KOC (pH 7.4): 274.49; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 60.64 cm³; (15)Molar Volume: 172.2 cm³; (16)Polarizability: 24.04×10^-24cm³; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.128 g/cm³; (19)Flash Point: 124.4 °C; (20)Enthalpy of Vaporization: 52.09 kJ/mol; (21)Boiling Point: 282.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00343 mmHg at 25°C.

Production method of this chemical: The Thiourea,N-phenyl-N'-propyl- could be obtained by the reactants of Isothiocyanatobenzene and Propylamine. This reaction needs the solvent of CH₂Cl₂. The yield is 99 %. In addition, this reaction should be taken for 16 hours at the temperature of 20 °C.

The Thiourea,N-phenyl-N'-propyl- could be obtained by the reactants of Isothiocyanatobenzene and Propylamine

Uses of this chemical: The Thiourea,N-phenyl-N'-propyl- could react with Thiourea, and obtain the 4-Phenyl-5-propylimino-4,5-dihydro-[1,2,4]thiadiazol-3-ylamine. This reaction needs the reagents of conc. HCl, 6 percent H₂O₂, and the solvent of Ethanol. The yield is 74 %.

The Thiourea,N-phenyl-N'-propyl- could react with Thiourea, and obtain the 4-Phenyl-5-propylimino-4,5-dihydro-[1,2,4]thiadiazol-3-ylamine

You can still convert the following datas into molecular structure:
1.SMILES: S=C(Nc1ccccc1)NCCC
2.InChI: InChI=1/C10H14N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12,13) d
3.InChIKey: HZPCVTKJHKWEDX-UHFFFAOYAK
4.Std. InChI: InChI=1S/C10H14N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12,13)
5.Std. InChIKey: HZPCVTKJHKWEDX-UHFFFAOYSA-N