Thiourea, N-propyl- supplier

Name
N-PROPYLTHIOUREA
EINECS 213-158-2
CAS No. 927-67-3
Article Data10
CAS DataBase
Density 1.054 g/cm³
Solubility
Melting Point 120 °C
Formula C₄H₁₀N₂S
Boiling Point 182.1 °C at 760 mmHg
Molecular Weight 118.203
Flash Point 63.9 °C
Transport Information
Appearance
Safety 22-36/37/39
Risk Codes 22
Molecular Structure
Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Synonyms Thiourea,propyl- (9CI);Urea, 1-propyl-2-thio- (6CI,7CI,8CI);N-Propylthiourea;Propylthiourea;1-propylthiourea;N-propylthiourea;Propylthiourea;propyl-2-thiourea;
PSA 70.14000
LogP 1.32080

Thiourea, N-propyl- Specification

The Thiourea, N-propyl-, with the CAS registry number 93894-71-4 and EINECS registry number 213-158-2, has the systematic name of 1-propylthiourea. It belongs to the following product categories: Alpha sort; N-PAlphabetic; P; Pesticides&Metabolites; PON - PT. And it is harmful if swallowed, so you should be cautious while dealing with it. The molecular formula of the chemical is C₄H₁₀N₂S.

The characteristics of Thiourea, N-propyl- are as followings: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.09; (6)ACD/BCF (pH 7.4): 1.09; (7)ACD/KOC (pH 5.5): 37.02; (8)ACD/KOC (pH 7.4): 37.03; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 34.99 cm³; (15)Molar Volume: 112 cm³; (16)Polarizability: 13.87×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.054 g/cm³; (19)Flash Point: 63.9 °C; (20)Enthalpy of Vaporization: 41.83 kJ/mol; (21)Boiling Point: 182.1 °C at 760 mmHg; (22)Vapour Pressure: 0.825 mmHg at 25°C.

Uses of Thiourea, N-propyl-: It can react with 3-hydroxy-butan-2-one to produce 4,5-dimethyl-1-propyl-2-thioimidazole. This reaction will need reagent HCl, and the menstruum various solvent(s). The reaction time is 2 hours with heating, and the yield is about 44%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C(N)NCCC
(2)InChI: InChI=1/C4H10N2S/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
(3)InChIKey: UHGKYJXJYJWDAM-UHFFFAOYAV

Product Name

N-PROPYLTHIOUREA

Thiourea, N-propyl- Specification

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