Carbonodithioic acid, O-pentyl S-2-propenyl ester

Base Information

• Chemical Name: Carbonodithioic acid, O-pentyl S-2-propenyl ester
• CAS No.: 2956-12-9
• Deprecated CAS: 58968-62-0
• Molecular Formula: C9H16 O S2
• Molecular Weight: 204.357
• European Community (EC) Number: 220-977-9
• DSSTox Substance ID: DTXSID2062741
• Nikkaji Number: J306.880C
• Wikidata: Q81990235
• Mol file: 2956-12-9.mol

Synonyms:O-pentyl prop-2-enylsulfanylmethanethioate;2956-12-9;S-Allyl O-pentyl dithiocarbonate;Carbonodithioic acid, O-pentyl S-2-propenyl ester;DTXSID2062741;SCHEMBL10970569;EINECS 220-977-9;Dithiocarbonic acid S-allyl O-pentyl ester;Carbonodithioic acid, O-pentyl S-(2-propen-1-yl) ester

Chemical Property of Carbonodithioic acid, O-pentyl S-2-propenyl ester

Chemical Property:

• Vapor Pressure: 0.0168mmHg at 25°C
• Boiling Point: 263.5°Cat760mmHg
• PKA: 8.5[at 20 ℃]
• Flash Point: 113.1°C
• PSA: 66.62000
• Density: 1.034g/cm³
• LogP: 3.39730
• Water Solubility.: 5.672mg/L at 25℃
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 204.06425748
• Heavy Atom Count: 12
• Complexity: 135

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC(=S)SCC=C

Technology Process of Carbonodithioic acid, O-pentyl S-2-propenyl ester

There total 2 articles about Carbonodithioic acid, O-pentyl S-2-propenyl ester 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:

carbon disulfide (75-15-0,12122-00-8) + pentan-1-ol (71-41-0) + 3-chloroprop-1-ene (107-05-1) → S-allyl O-pentyl dithiocarbonate (2956-12-9)

Guidance literature:

Multistep reaction; (i) aq. KOH, acetone, (ii) /BRN= 1730975/;

Reference yield:

→ S-allyl O-pentyl dithiocarbonate (2956-12-9)

Guidance literature:

Pentylxanthogenat-Kalium , Bzl. u. Allylbromid <80grad>;

upstream raw materials:

carbon disulfide

pentan-1-ol

3-chloroprop-1-ene

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