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Thiourea,N,N'-dipropyl-

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Name

Thiourea,N,N'-dipropyl-

EINECS N/A
CAS No. 26536-60-7 Density 0.961 g/cm3
PSA 56.15000 LogP 2.05230
Solubility N/A Melting Point 69-71 °C
Formula C7H16N2S Boiling Point 212.2 °C at 760 mmHg
Molecular Weight 160.283 Flash Point 82.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 26536-60-7 (N,N'-DI-N-PROPYLTHIOUREA) Hazard Symbols N/A
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-;

Article Data 2

Thiourea,N,N'-dipropyl- 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

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