1-Propanethiol

Base Information

• Chemical Name: 1-Propanethiol
• CAS No.: 107-03-9
• Molecular Formula: C3H8S
• Molecular Weight: 76.1625
• Hs Code.: 29309070
• European Community (EC) Number: 203-455-5
• ICSC Number: 1492
• UN Number: 2402
• UNII: 4AB0N08V2H
• DSSTox Substance ID: DTXSID5026750
• Nikkaji Number: J4.046K
• Wikipedia: Propanethiol
• Wikidata: Q161679,Q83070907
• Metabolomics Workbench ID: 46440
• ChEMBL ID: CHEMBL1236818
• Mol file: 107-03-9.mol

Synonyms:1-propylmercaptan;propanethiol;propanethiol, sodium salt

Chemical Property of 1-Propanethiol

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 122 mm Hg ( 20 °C)
• Melting Point: -113 °C
• Refractive Index: 1.437 - 1.439
• Boiling Point: 67.8 °C at 760 mmHg
• PKA: pK1:10.86 (25°C)
• Flash Point: -20 °C
• PSA: 38.80000
• Density: 0.826 g/cm³
• LogP: 1.32620
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Solubility.: 1.9g/l
• Water Solubility.: immiscible
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 76.03467143
• Heavy Atom Count: 4
• Complexity: 7.2
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

1-Propanethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xn, N
• Hazard Codes: F,Xn,N
• Statements: 11-22-37/38-41-50-36/37/38-21/22
• Safety Statements: 16-26-39-57-36/37/39-29

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Thiols
• Canonical SMILES: CCCS
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. Exposure at high levels could cause lowering of consciousness.
• Description: Propane thiol is an organic compound with the molecular formula C3H8S. It belongs to the group of thiols. It is a colorless liquid with a strong, offensive odor. It is moderately toxic and is less dense than water and slightly soluble in water. It is used as a chemical intermediate and a herbicide . It is highly flammable and it gives off irritating or toxic fumes (or gases) in a fire. Heating it will cause rise in pressure with risk of bursting.
• Uses: 1-Propanethiol, is used widely in research areas. This compound has a wide range of applications including cell biology, materials science, nanoscience, self-assembled monolayers (SAMs), nanoelectronics, and contact printing. It is also used as a chemical intermediate. 1-PP can be used as a capping agent that improves the thermal stability and light absorption of silver nanoparticles (AgNPs), which can be incorporated into the perovskite solar cells. Gallium-arsenic (Ga-As) can be surface functionalized with 1-PP and can be potentially used in the fabrication of group VI precusors and self-assembled electron beam resists in semiconductor industry. It can also form a SAM on gold(111) surface that may be used to immobilize macromolecules. Chemical intermediate, herbicide.

Technology Process of 1-Propanethiol

There total 70 articles about 1-Propanethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 52.0%

1,4-di(n-propyl)tetrasulfane (52687-98-6) → 1,2-dithiole-3-thione (534-25-8) + 1-thiopropane (107-03-9) + propyl sulfide (111-47-7) + Dipropyl disulfide (629-19-6)

Guidance literature:

at 350 ℃;

DOI:10.1007/s11176-005-0095-3

Reference yield: 44.0%

dipropyl trisulfide*dipropyl tetrasulfide → 1,2-dithiole-3-thione (534-25-8) + 1-thiopropane (107-03-9) + propyl sulfide (111-47-7) + Dipropyl disulfide (629-19-6)

Guidance literature:

at 350 ℃;

DOI:10.1007/s11176-005-0095-3

Reference yield: 29.0%

dipropyl trisulfide (6028-61-1) → 1,2-dithiole-3-thione (534-25-8) + 1-thiopropane (107-03-9) + propyl sulfide (111-47-7) + Dipropyl disulfide (629-19-6)

Guidance literature:

at 350 ℃;

DOI:10.1007/s11176-005-0095-3

upstream raw materials:

propan-1-ol

propene

S-n-propylisothiourea

propyl sulfide

Downstream raw materials:

2-propylsulfanylethylamine

n-propyl chlorothioformate

ethyl propyl sulfide

methyl n-propyl disulfide

Refernces

• 1、 Mashkina,Khairulina. "Catalytic synthesis of dialkyl sulfides from dialkyl disulfides". . p. 402 - 408. Retrieved 2017.
• 2、 Levi,Natta. "-". . . Retrieved 1924.
• 3、 Korchevin,Russavskaya,Yakimova,Deryagina. "New ways of synthesis of 1,2-dithiole-3-thione". . p. 1754 - 1756. Retrieved 2004.
• 4、 Lin, Zerong,Brock, Carolyn P.,Marks, Tobin J.. "". . p. 145 - 150. Retrieved 1988.
• 5、 Maurya, Chandra Kant,Gupta, Pradeep Kumar. "Phosphorus Pentasulfide Mediated Conversion of Primary Carbamates into Thiols". . p. 1649 - 1651. Retrieved 2017/08/11.