5-Methyl-2-thiahexane

Base Information

Chemical Name:5-Methyl-2-thiahexane
CAS No.:13286-90-3
Molecular Formula:C6H14S
Molecular Weight:118.24
Hs Code.:2930909090
NSC Number:163348
UNII:DVJ7EWR3WY
DSSTox Substance ID:DTXSID70303898
Nikkaji Number:J101.051D
Wikidata:Q82049396
Mol file:13286-90-3.mol

Synonyms:5-Methyl-2-thiahexane;Sulfide, isopentyl methyl;13286-90-3;Isoamylmethyl sulfide;3-Methyl-1-(methylsulfanyl)butane;Butane, 3-methyl-1-(methylthio)-;3-methyl-1-methylsulfanylbutane;3-methylbutyl methyl sulfide;NSC-163348;NSC163348;Methyl isopentyl sulfide;DVJ7EWR3WY;SCHEMBL291308;ISOPENTYL METHYL SULFIDE;(3-Methylbutyl) methyl sulfide;DTXSID70303898;ABIKQXWLJOURPN-UHFFFAOYSA-N;AKOS024429003;3-METHYL-1-(METHYLTHIO)BUTANE

Suppliers and Price of 5-Methyl-2-thiahexane

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
ISOAMYL METHYL SULFIDE Aldrich
250mg
$ 144.00

Total 4 raw suppliers

Chemical Property of 5-Methyl-2-thiahexane

Chemical Property:

Vapor Pressure:10.1mmHg at 25°C
Melting Point:-96.69°C (estimate)
Refractive Index:1.4278 (estimate)
Boiling Point:134.3°C at 760 mmHg
Flash Point:23°C
PSA：25.30000
Density:0.833g/cm³
LogP:2.39550
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:

99% ^*data from raw suppliers

ISOAMYL METHYL SULFIDE Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCSC

Technology Process of 5-Methyl-2-thiahexane

There total 3 articles about 5-Methyl-2-thiahexane 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%

: 541-31-1
3-methylbutanethiol

: 74-88-4
methyl iodide

: 13286-90-3
isopentyl methyl sulfide

Guidance literature:: 3-methylbutanethiol; With sodium methylate; In methanol; at 20 ℃; for 1h;

methyl iodide; In methanol; for 2h; Further stages.; Heating;
DOI:10.1021/jo0009090

Reference yield:

: 107-82-4
i-pentyl bromide

: 13286-90-3
isopentyl methyl sulfide

Guidance literature:: Multi-step reaction with 2 steps

1: (i) thiourea, (ii) (alkaline hydrolysis)

2: sodium / ethanol

With sodium; In ethanol;