CAS No.26536-60-7,N,N'-DI-N-PROPYLTHIOUREA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26536-60-7
Name:	N,N'-DI-N-PROPYLTHIOUREA
Article Data:	2

Formula:	C₇H₁₆N₂S
Molecular Weight:	160.283
Synonyms:	Urea,1,3-dipropyl-2-thio- (7CI,8CI);1,3-Dipropyl-2-thiourea;1,3-Dipropylthiourea;N,N'-Dipropylthiourea;1,3-Dipropylthiourea;Thiourea, N,N'-dipropyl-;
Density:	0.961 g/cm³
Melting Point:	69-71 °C
Boiling Point:	212.2 °C at 760 mmHg
Flash Point:	82.1 °C
Risk Codes:	20/21/22
Safety:	26-36
PSA:	56.15000
LogP:	2.05230

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Specification

The Thiourea,N,N'-dipropyl-, with the CAS registry number 26536-60-7, has the systematic name and IUPAC name of 1,3-dipropylthiourea. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₁₆N₂S.

The characteristics of Thiourea,N,N'-dipropyl- are as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.25; (6)ACD/BCF (pH 7.4): 13.25; (7)ACD/KOC (pH 5.5): 221.28; (8)ACD/KOC (pH 7.4): 221.28; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 48.95 cm³; (15)Molar Volume: 166.7 cm³; (16)Polarizability: 19.4×10^-24cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 0.961 g/cm³; (19)Flash Point: 82.1 °C; (20)Enthalpy of Vaporization: 44.85 kJ/mol; (21)Boiling Point: 212.2 °C at 760 mmHg; (22)Vapour Pressure: 0.175 mmHg at 25°C.

Preparation of Thiourea,N,N'-dipropyl-: This chemical can be prepared by propylamine and 1-isothiocyanato-propane. The reaction will need the menstruum acetone. The reaction time is 3 hours with heating, and the yield is about 46%.

Uses of Thiourea,N,N'-dipropyl-: It can react with di-tert-butyl dicarbonate to produce N-tert-butoxycarbonyl-N,N'-dipropylthiourea. And the yield is about 43%.

You should be cautious while dealing with this chemical. It is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C(NCCC)NCCC
(2)InChI: InChI=1/C7H16N2S/c1-3-5-8-7(10)9-6-4-2/h3-6H2,1-2H3,(H2,8,9,10)
(3)InChIKey: AUXGIIVHLRLBSG-UHFFFAOYAQ