3-Thiepanone

Base Information

Chemical Name:3-Thiepanone
CAS No.:25057-68-5
Molecular Formula:C6H10 O S
Molecular Weight:130.208
Hs Code.:
NSC Number:96447
UNII:WG9DEY7N37
DSSTox Substance ID:DTXSID40294406
Nikkaji Number:J2.033.726E
Wikidata:Q82033708
Mol file:25057-68-5.mol

Synonyms:3-Thiepanone;thiepan-3-one;25057-68-5;3-Thiacycloheptanone;WG9DEY7N37;NSC-96447;UNII-WG9DEY7N37;NSC96447;SCHEMBL10365968;DTXSID40294406

Suppliers and Price of 3-Thiepanone

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

Total 2 raw suppliers

Chemical Property of 3-Thiepanone

Chemical Property:

Vapor Pressure:0.147mmHg at 25°C
Boiling Point:215.5°Cat760mmHg
Flash Point:95.9°C
Density:1.083g/cm³
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:130.04523611
Heavy Atom Count:8
Complexity:90.5

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCSCC(=O)C1

Technology Process of 3-Thiepanone

There total 5 articles about 3-Thiepanone 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: 54.0%

: 3-oxo-thiepane-4-carboxylic acid ethyl ester

: 25057-68-5
thiepan-3-one

Guidance literature:: With water; lithium chloride; In dimethyl sulfoxide; at 185 ℃; for 5h; Inert atmosphere;
DOI:10.1021/ja306731u

Reference yield:

: 91214-40-3
5-ethoxycarbonylmethylsulfanyl-valeric acid ethyl ester

: 25057-68-5
thiepan-3-one

Guidance literature:: With sulfuric acid; sodium ethanolate; toluene;
DOI:10.1021/ja01124a016

Reference yield:

: 2323-81-1
ethyl 5-chloropentanoate

: 25057-68-5
thiepan-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: ethanolic sodium ethylate; sodium iodide

2: sodium ethylate; toluene; aqueous sulfuric acid

With sulfuric acid; sodium ethanolate; toluene; sodium iodide;
DOI:10.1021/ja01124a016