3-Methylbutanethioamide

Base Information

Chemical Name:3-Methylbutanethioamide
CAS No.:16536-95-1
Deprecated CAS:676136-92-8
Molecular Formula:C5H11 N S
Molecular Weight:117.2125
Hs Code.:2930909090
DSSTox Substance ID:DTXSID1066077
Nikkaji Number:J421.970H
Mol file:16536-95-1.mol

Synonyms:3-methylbutanethioamide;16536-95-1;Butanethioamide, 3-methyl-;Butyramide, 3-methylthio-;Isovalerothioamide;3-methyl-thiobutyramide;SCHEMBL2141202;DTXSID1066077;SCHEMBL21854240;NFWCTMFZCLAVSD-UHFFFAOYSA-N;AKOS000155598;AB52630;EN300-64125

Suppliers and Price of 3-Methylbutanethioamide

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

American Custom Chemicals Corporation
3-METHYLBUTANETHIOAMIDE 95.00%
5G
$ 1421.65

American Custom Chemicals Corporation
3-METHYLBUTANETHIOAMIDE 95.00%
2.5G
$ 1147.43

American Custom Chemicals Corporation
3-METHYLBUTANETHIOAMIDE 95.00%
1G
$ 808.89

AK Scientific
3-Methylbutanethioamide
2.5g
$ 777.00

Total 3 raw suppliers

Chemical Property of 3-Methylbutanethioamide

Chemical Property:

Vapor Pressure:1.51mmHg at 25°C
Melting Point:60-61 °C(Solv: ethyl ether (60-29-7); pentane (109-66-0))
Boiling Point:169.8°Cat760mmHg
PKA:13.06±0.29(Predicted)
Flash Point:56.5°C
PSA：62.65000
Density:0.975g/cm³
LogP:2.03930
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:117.06122053
Heavy Atom Count:7
Complexity:68.5

Purity/Quality:

99% ^*data from raw suppliers

3-METHYLBUTANETHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(=S)N

Technology Process of 3-Methylbutanethioamide

There total 7 articles about 3-Methylbutanethioamide 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: 75.0%

: C₅H₁₁NOS

: 16536-95-1
3-methylbutanethioamide

Guidance literature:: Irradiation;
DOI:10.1038/nchem.2202

Reference yield: 70.0%

: 541-46-8
isobutylamide

: 16536-95-1
3-methylbutanethioamide

Guidance literature:: In tetrahydrofuran;

Reference yield:

: 108-12-3
isopentanoyl chloride

: 16536-95-1
3-methylbutanethioamide

Guidance literature:: Multi-step reaction with 2 steps

1: ammonia / tetrahydrofuran / 0.5 h / 0 °C / Inert atmosphere

2: Lawessons reagent / 1,2-dimethoxyethane / 2 h / 100 °C

With Lawessons reagent; ammonia; In tetrahydrofuran; 1,2-dimethoxyethane;