Methyl 3-mercaptobutanoate

Base Information

Chemical Name:Methyl 3-mercaptobutanoate
CAS No.:54051-19-3
Molecular Formula:C5H10O2S
Molecular Weight:134.199
Hs Code.:2930909090
European Community (EC) Number:639-070-8
UNII:8ID1LZZ5ZR
DSSTox Substance ID:DTXSID90968887
Nikkaji Number:J1.621.807C
Wikidata:Q27270581
Metabolomics Workbench ID:45499
Mol file:54051-19-3.mol

Synonyms:Methyl 3-sulfanylbutanoate;METHYL 3-MERCAPTOBUTANOATE;54051-19-3;Methyl 3-mercaptobutyrate;METHYL3-MERCAPTOBUTANOATE;FEMA no. 4167;Methyl 3-mercaptobutanoate [FHFI];UNII-8ID1LZZ5ZR;8ID1LZZ5ZR;Butyric acid, 3-mercapto-, methyl ester;Butanoic acid, 3-mercapto-, methyl ester;methyl b-mercaptobutyrate;Methyl3-sulfanylbutanoate;methyl 3-sulanylbutanoate;SCHEMBL690378;DTXSID90968887;CHEBI:173551;3-Mercaptobutyric acid methyl ester;LMFA07010949;AKOS010616360;EN300-78646;Q27270581

Suppliers and Price of Methyl 3-mercaptobutanoate

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
methyl3-sulfanylbutanoate
50mg
$ 65.00

AK Scientific
Methyl3-mercaptobutanoate
5g
$ 1434.00

AK Scientific
Methyl3-mercaptobutanoate
2.5g
$ 1011.00

AK Scientific
Methyl3-mercaptobutanoate
1g
$ 579.00

Total 5 raw suppliers

Chemical Property of Methyl 3-mercaptobutanoate

Chemical Property:

Vapor Pressure:1.338mmHg at 25°C
Refractive Index:1.453
Boiling Point:172.335°C at 760 mmHg
Flash Point:58.313°C
PSA：65.10000
Density:1.041g/cm³
LogP:0.86780
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:134.04015073
Heavy Atom Count:8
Complexity:82.5

Purity/Quality:

95% ^*data from raw suppliers

methyl3-sulfanylbutanoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC(=O)OC)S

Technology Process of Methyl 3-mercaptobutanoate

There total 3 articles about Methyl 3-mercaptobutanoate 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:

: 67-56-1
methanol

: 59723-45-4
3-(4-bromo-phenyl)-6-methyl-2-thioxo-[1,3]thiazinan-4-one

: 54051-19-3
3-mercaptobutanoic acid methyl ester

: 1985-12-2
4-Bromophenyl isothiocyanate

Guidance literature:: at 27 ℃; Rate constant;
DOI:10.1002/ardp.19803131205

Reference yield:

: 56686-94-3
3,5-dimethyl-4-thia-heptanedioic acid dimethyl ester

: 623-43-8,4358-59-2,18707-60-3,130981-57-6
methyl crotonate

: 54051-19-3
3-mercaptobutanoic acid methyl ester

Guidance literature:: With sodium sulfide; at 200 ℃; under 100 Torr;

Reference yield:

: 623-43-8
crotonic acid methyl ester

: 138682-18-5
(5R,8aS)-5-Mercapto-hexahydro-oxazolo[3,4-a]pyridin-3-one

: 54051-19-3
3-mercaptobutanoic acid methyl ester

: Thiobenzoic acid S-((5R,8aS)-3-oxo-hexahydro-oxazolo[3,4-a]pyridin-5-yl) ester

Guidance literature:: With thiobenzoic acid; n-propylmagnesium bromide; titanium tetrachloride; Yield given. Multistep reaction; 1) THF, 0 deg C, 5 h;
DOI:10.1016/S0040-4039(00)93586-X