1-((1-Methylethyl)thio)propane

Base Information

• Chemical Name: 1-((1-Methylethyl)thio)propane
• CAS No.: 5008-73-1
• Molecular Formula: C6H14 S
• Molecular Weight: 118.243
• Hs Code.: 2930909090
• European Community (EC) Number: 225-686-0
• UNII: A3V2T3L7XV
• DSSTox Substance ID: DTXSID10198200
• Nikkaji Number: J132.820D
• Wikidata: Q83070987
• Mol file: 5008-73-1.mol

Synonyms:5008-73-1;ISOPROPYL N-PROPYL SULFIDE;Isopropyl Propyl Sulfide;1-((1-Methylethyl)thio)propane;1-propan-2-ylsulfanylpropane;Sulfide, isopropyl propyl;Isopropylpropyl sulfide;Propane, 1-[(1-methylethyl)thio]-;1-(Isopropylsulfanyl)propane;A3V2T3L7XV;EINECS 225-686-0;1-[(1-methylethyl)thio]propane;Propane, 1-((1-methylethyl)thio)-;isopropyl(propyl)sulfane;Propyl isopropyl sulfide;n-Propyl isopropyl sulfide;UNII-A3V2T3L7XV;SCHEMBL1705087;1-(Isopropylsulfanyl)propane #;DTXSID10198200;MFCD00027125;AKOS024430357;2-HYDROXYMETHYL-BENZOICACIDMETHYLESTER;FT-0627477;P0826;D92018

Chemical Property of 1-((1-Methylethyl)thio)propane

Chemical Property:

• Vapor Pressure: 10.1mmHg at 25°C
• Melting Point: -96.69°C (estimate)
• Refractive Index: 1.4430 to 1.4460
• Boiling Point: 134.3°Cat760mmHg
• Flash Point: 23°C
• PSA: 25.30000
• Density: 0.833g/cm³
• LogP: 2.53800
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 118.08162162
• Heavy Atom Count: 7
• Complexity: 33.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

IsopropylN-PropylSulfide ^*data from reagent suppliers

Safty Information:

• Statements: R10:Flammable.
• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCSC(C)C

Technology Process of 1-((1-Methylethyl)thio)propane

There total 6 articles about 1-((1-Methylethyl)thio)propane 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:

propane (74-98-6) → diisopropylsulfide (625-80-9) + n-propyl isopropyl sulfide (5008-73-1)

Guidance literature:

With sulfur; trifluorormethanesulfonic acid; at 150 ℃; for 62h; Product distribution; Mechanism; autoclave; other temp.;

DOI:10.1021/ja00165a086

Reference yield:

propane (74-98-6) → propyl sulfide (111-47-7) + diisopropylsulfide (625-80-9) + n-propyl isopropyl sulfide (5008-73-1) + diisopropyl sulfide (4253-89-8)

Guidance literature:

With S₈(AsF₆)2; In liquid sulphur dioxide; Yield given. Yields of byproduct given;

DOI:10.1039/c39850000377

Reference yield:

1-thiopropane (107-03-9) + isopropyl bromide (75-26-3) → n-propyl isopropyl sulfide (5008-73-1)

Guidance literature:

With sodium ethanolate;

upstream raw materials:

1-thiopropane

isopropyl bromide

propene

propane

Downstream raw materials:

hydrogen bromide

2-<1-(isopropylthio)propyl>phenol

C₁₃H₁₈N₂S*C₆H₃N₃O₇

C₁₂H₁₈N₂O₂S*C₆H₃N₃O₇

Refernces

• 1、 Brehon, Annick,Couture, Axel,Combier, Lablache A.. "EFFET PROMOTEUR DES PHOSPHITES ALIPHATIQUES DANS L'ADDITION PHOTO AMORCEE D'H2S SUR LE PROPYLENE EN SOLUTION. I - ETUDE ANALYTIQUE". . p. 839 - 850. Retrieved 2007/10/02.
• 2、 Claus, Peter K.,Silbernagel, Waltraud,Franek, Walter,Rieder, Werner. "Alkyl- and Arylsulfenanilides by Cycloelimination of Propene from N-Aryl-S-isopropyl-sulfimides". . p. 841 - 850. Retrieved 2007/10/02.