2-Chloroethyl n-propyl sulfide

Base Information

• Chemical Name: 2-Chloroethyl n-propyl sulfide
• CAS No.: 4303-42-8
• Molecular Formula: C5H11ClS
• Molecular Weight: 138.661
• Hs Code.: 2930909090
• NSC Number: 58847
• DSSTox Substance ID: DTXSID00289070
• Wikidata: Q82026228
• Mol file: 4303-42-8.mol

Synonyms:2-Chloroethyl n-propyl sulfide;4303-42-8;1-chloro-2-propylsulfanyl-ethane;NSC 58847;NSC58847;1-chloro-2-propylthioethane;SCHEMBL539265;DTXSID00289070;NSC-58847;AKOS005766801;1-[(2-Chloroethyl)sulfanyl]propane #

Chemical Property of 2-Chloroethyl n-propyl sulfide

Chemical Property:

• Vapor Pressure: 1.35mmHg at 25°C
• Boiling Point: 178.2°Cat760mmHg
• Flash Point: 67.1°C
• PSA: 25.30000
• Density: 1.016g/cm³
• LogP: 2.36840
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 138.0269992
• Heavy Atom Count: 7
• Complexity: 31.3

Purity/Quality:

99% ^*data from raw suppliers

1-[(2-CHLOROETHYL)SULFANYL]PROPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSCCCl

Technology Process of 2-Chloroethyl n-propyl sulfide

There total 2 articles about 2-Chloroethyl n-propyl sulfide 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: 36.0%

1-thiopropane (107-03-9) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 4,7-dithiadecane (22037-97-4) + 2-chloroethyl-n-propylsulfide (4303-42-8)

Guidance literature:

1-thiopropane; With potassium hydroxide; hydrazine hydrate; for 1h;

1,2-dichloro-ethane; at 50 ℃; for 2h;

DOI:10.1023/A:1022540002086

Reference yield:

2-hydroxyethyl ethyl sulfide (22812-90-4) → 2-chloroethyl-n-propylsulfide (4303-42-8)

Guidance literature:

With phosphorus trichloride;

Reference yield: 91.0%

2-chloroethyl-n-propylsulfide (4303-42-8) → 2-hydroxyethyl ethyl sulfide (22812-90-4)

Guidance literature:

With HKUST-1 metal organic framework; In tetrachloromethane; at 20 ℃; for 0.666667h; Reagent/catalyst; Kinetics;

DOI:10.1039/c2dt31888a

upstream raw materials:

2-hydroxyethyl ethyl sulfide

1-thiopropane

1,2-dichloro-ethane

Downstream raw materials:

4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-(2-propylsulfanyl-ethoxy)-benzamide

4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-[2-(propane-1-sulfinyl)-ethoxy]-benzamide

2-hydroxyethyl ethyl sulfide

Refernces