5,5-Dimethyl-4-thia-1-hexene

Base Information

Chemical Name:5,5-Dimethyl-4-thia-1-hexene
CAS No.:37850-75-2
Molecular Formula:C7H14 S
Molecular Weight:130.254
Hs Code.:
DSSTox Substance ID:DTXSID40191284
Nikkaji Number:J43.376D
Wikidata:Q83063800
Mol file:37850-75-2.mol

Synonyms:5,5-dimethyl-4-thia-1-hexene;2-methyl-2-prop-2-enylsulfanylpropane;3-((1,1-Dimethylethyl)thio)-1-propene;3-((1,1-Dimethylethyl)-thio)-1-propene;Allyl tert-butyl sulfide;allyl t-butyl sulfide;Allyl tert-butyl sulphide;SCHEMBL7155019;DTXSID40191284;XIBMCVKDUXKQRS-UHFFFAOYSA-N

Suppliers and Price of 5,5-Dimethyl-4-thia-1-hexene

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

TRC
ALLYL SEC-BUTYL SULFIDE
100mg
$ 45.00

Sigma-Aldrich
ALLYL SEC-BUTYL SULFIDE AldrichCPR
250MG
$ 33.40

American Custom Chemicals Corporation
ALLYL SEC-BUTYL SULFIDE 98.00%
1G
$ 968.97

AHH
ALLYL SEC-BUTYL SULFIDE 98%
10g
$ 520.00

Total 3 raw suppliers

Chemical Property of 5,5-Dimethyl-4-thia-1-hexene

Chemical Property:

Vapor Pressure:3.38mmHg at 25°C
Boiling Point:152.3°Cat760mmHg
Flash Point:35.2°C
PSA：25.30000
Density:0.85g/cm³
LogP:2.70410
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:130.08162162
Heavy Atom Count:8
Complexity:68.9

Purity/Quality:

99% ^*data from raw suppliers

ALLYL SEC-BUTYL SULFIDE ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)SCC=C

Technology Process of 5,5-Dimethyl-4-thia-1-hexene

There total 14 articles about 5,5-Dimethyl-4-thia-1-hexene 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: 95.0%

: 29364-29-2
sodium tert-butyl thiolate

: 106-95-6
allyl bromide

: 37850-75-2
allyl tert-butyl sulfide

Guidance literature:: In methanol;

Reference yield: 66.0%

: 75-66-1
2-methylpropan-2-thiol

: 106-95-6
allyl bromide

: 37850-75-2
allyl tert-butyl sulfide

: 592-88-1
diallyl sulphide

Guidance literature:: With sodium methylate; In methanol; Yields of byproduct given. Title compound not separated from byproducts; 0 deg C, 1 h; 25 deg C, overnight;
DOI:10.1246/bcsj.57.2781

Reference yield: 21.0%

: 75-66-1
2-methylpropan-2-thiol

: 106-95-6
allyl bromide

: 37850-75-2
allyl tert-butyl sulfide

Guidance literature:: 2-methylpropan-2-thiol; With sodium hydroxide; In ethanol; at 20 ℃; for 0.25h;

allyl bromide; In ethanol; for 1h; Reflux;
DOI:10.1021/acs.orglett.0c01471