Heptane, 1,1'-thiobis-

Base Information

• Chemical Name: Heptane, 1,1'-thiobis-
• CAS No.: 629-65-2
• Molecular Formula: C14H30S
• Molecular Weight: 230.458
• European Community (EC) Number: 211-101-6
• UNII: G6CCC2QR5A
• DSSTox Substance ID: DTXSID3060879
• Nikkaji Number: J97.165K
• Wikidata: Q72464434
• Mol file: 629-65-2.mol

Synonyms:Heptyl sulfide;629-65-2;Diheptyl sulfide;Heptane, 1,1'-thiobis-;n-Heptyl sulfide;Diheptyl sulphide;1-heptylsulfanylheptane;diheptylsulfane;di-n-Heptyl sulfide;EINECS 211-101-6;AI3-18867;1,1'-Thiobis[heptane];1-(Heptylsulfanyl)heptane;G6CCC2QR5A;1-(Heptylsulfanyl)heptane #;SCHEMBL460167;DTXSID3060879;MFCD00027315;AKOS015897604;CS-0368228;FT-0624937;H0376;D90850;A834125

Chemical Property of Heptane, 1,1'-thiobis-

Chemical Property:

• Vapor Pressure: 0.00202mmHg at 25°C
• Melting Point: -11 °C
• Refractive Index: 1.459
• Boiling Point: 300.3 °C at 760 mmHg
• Flash Point: 148.9 °C
• PSA: 25.30000
• Density: 0.842 g/cm³
• LogP: 5.66040
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 230.20682213
• Heavy Atom Count: 15
• Complexity: 89.5

Purity/Quality:

99% ^*data from raw suppliers

Heptyl Sulfide >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CCCCCCCSCCCCCCC

Technology Process of Heptane, 1,1'-thiobis-

There total 8 articles about Heptane, 1,1'-thiobis- 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: 90.0%

1-Iodoheptane (4282-40-0) → diheptyl sulfide (629-65-2)

Guidance literature:

With dithiooxamide; sodium hydroxide; In water; at 30 - 35 ℃; for 3h; Green chemistry;

DOI:10.1002/ejoc.201500156

Reference yield: 70.0%

1-Iodoheptane (4282-40-0) → diheptyl sulfide (629-65-2) + diheptyldisulfide (10496-16-9)

Guidance literature:

With dithiooxamide; sodium hydroxide; In water; at 50 ℃; for 2h; Temperature; Solvent; Reagent/catalyst; Green chemistry;

DOI:10.1002/ejoc.201500156

Reference yield: 8.6%

n-heptan1ol (111-70-6) → 1-Heptene (592-76-7) + heptanethiol (1639-09-4) + diheptyl sulfide (629-65-2)

Guidance literature:

With P, S; at 180 - 190 ℃; for 3.5h; Product distribution;

upstream raw materials:

1-Bromoheptane

1-Iodoheptane

n-heptan1ol

2-sulfanyl-1,3-benzoxazole

Downstream raw materials:

diheptyl sulfone

di-n-heptyl sulfoxide

octane

n-heptane

Refernces

• 1、 Deryagina,Kozlov,Vershal',Babkin. "Highly Efficient Solvents and Reagents for Elemental Sulfur". . p. 1240 - 1243. Retrieved 2007/10/03.
• 2、 Mazitova, F. N.,Khairullin, V. K.. "REACTIONS OF ALIPHATIC ALCOHOLS WITH SULFUR AND RED PHOSPHORUS". . p. 1393 - 1396. Retrieved 2007/10/02.