13281-03-3

Basic information

• Product Name: 1-OCTYL-2-THIOUREA
• Synonyms: 1-OCTYL-2-THIOUREA
• CAS NO: 13281-03-3
• Molecular Formula: C₉H₂₀N₂S
• Molecular Weight: 188.33
• Mol File: 13281-03-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 94-96°C
• Boiling Point: 277.1 °C at 760 mmHg
• Flash Point: 121.4 °C
• Appearance: /
• Density: 0.967 g/cm³
• Vapor Pressure: 0.00461mmHg at 25°C
• Refractive Index: 1.509
• PKA: 14.82±0.29(Predicted)
• CAS DataBase Reference: 1-OCTYL-2-THIOUREA(CAS DataBase Reference)
• NIST Chemistry Reference: 1-OCTYL-2-THIOUREA(13281-03-3)
• EPA Substance Registry System: 1-OCTYL-2-THIOUREA(13281-03-3)

Safety Data

• Statements: 20/21/22
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 13281-03-3(Hazardous Substances Data)

Usage

General Description

1-Octyl-2-thiourea is a chemical compound with the formula C11H23N3S, which consists of a thiourea functional group attached to an octyl chain. It is a white, crystalline solid with a faint odor and is insoluble in water but soluble in organic solvents. 1-Octyl-2-thiourea is used in various industrial applications, including as a corrosion inhibitor in lubricants and as a chemical intermediate in the synthesis of other compounds. It is also used in the production of pharmaceuticals and agricultural chemicals. Additionally, it has been studied for its potential use in the treatment of heavy metal poisoning and as a sensitizing agent in photography. However, it is important to handle this compound with caution, as it may be harmful if ingested, inhaled, or absorbed through the skin.

InChI:InChI=1/C9H20N2S/c1-2-3-4-5-6-7-8-11-9(10)12/h2-8H2,1H3,(H3,10,11,12)

Upstream product

• 111-86-4 n-Octylamine 
• 17356-08-0 thiourea 
• 124-13-0 Octanal 
• 1147550-11-5 ammonium thiocyanate 
• 142-95-0 n-octylamine hydrochloride 
• 117759-83-8 (1-Benzotriazol-1-yl-octyl)-thiourea 

Downstream Products

• 4430-45-9 n-octylisothiocyanate 

Relevant articles and documents

ISOTHIOCYANATE PRODUCTION METHOD, COMPOSITION FOR TRANSPORTING AND STORING N-SUBSTITUTED O-SUBSTITUTED THIOCARBAMATE, AND ISOTHIOCYANATE COMPOSITION

The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

Substituted 5,5′-diphenyl-2-thioxoimidazolidin-4-one as CB 1 cannabinoid receptor ligands: Synthesis and pharmacological evaluation

A set of 30 substituted 5,5′-diphenyl-2-thioxoimidazolidin-4-one (thiohydantoins) derivatives was synthesized, and their affinity for the human CB1 cannabinoid receptor has been evaluated. These compounds are derived from the previously described cannabinoid ligands 5,5′- diphenylimidazolidine-2,4-dione (hydantoins). The replacement of the oxygen by a sulfur leads to an increase of the affinity while the function-i.e., inverse agonism-determined by [35S]-GTPγS experiments remains unaffected. Finally, to evaluate the molecular parameters that could influence the affinity of the thiohydantoins, molecular electrostatic potential as well as lipophilicity calculations were undertaken on representative thiohydantoins and hydantoins derivatives. In conclusion, 5,5′-bis-(4-iodophenyl)-3-butyl-2- thioxoimidazolidin-4-one (31) and 3-allyl-5,5′-bis(4-bromophenyl)-2- thioxoimidazolidin-4-one (32) possess the highest affinity for the CB 1 cannabinoid receptor described to date for the hydantoin and thiohydantoins series when compared in a same bioassay.