[(Pyrrolidin-1-ylcarbonothioyl)thio]acetic acid

Base Information

Chemical Name:[(Pyrrolidin-1-ylcarbonothioyl)thio]acetic acid
CAS No.:20069-28-7
Molecular Formula:C7H11NO2S2
Molecular Weight:205.302
Hs Code.:2933990090
NSC Number:85558
DSSTox Substance ID:DTXSID70942089
Nikkaji Number:J1.142.797I
Wikidata:Q82919061
ChEMBL ID:CHEMBL1383020
Mol file:20069-28-7.mol

Synonyms:20069-28-7;[(pyrrolidin-1-ylcarbonothioyl)thio]acetic acid;2-(pyrrolidine-1-carbothioylsulfanyl)acetic acid;((1-Pyrrolidinylcarbothioyl)thio)acetic acid;2-((Pyrrolidine-1-carbonothioyl)thio)acetic acid;NSC85558;Acetic acid, 2-[(1-pyrrolidinylthioxomethyl)thio]-;NSC 85558;Oprea1_210077;MLS000778015;CHEMBL1383020;DTXSID70942089;HMS1580E16;HMS2750F09;NSC-85558;STK795251;AKOS001078753;NCGC00246475-01;SMR000414409;CS-0232422;EN300-12719;S-(pyrrolidino-thiocarbonyl)-thioglycolic acid;(Pyrrolidine-1-carbothioylsulfanyl)-acetic acid;[(Pyrrolidine-1-carbothioyl)sulfanyl]acetic acid;2-((Pyrrolidine-1-carbonothioyl)thio)aceticacid;[(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetic acid;2-[(pyrrolidin-1-yl)carbothioylsulfanyl]acetic acid;J-502693;Z55903853

Suppliers and Price of [(Pyrrolidin-1-ylcarbonothioyl)thio]acetic acid

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
2-(pyrrolidine-1-carbothioylsulfanyl)aceticAcid
50mg
$ 90.00

American Custom Chemicals Corporation
[(PYRROLIDIN-1-YLCARBONOTHIOYL)THIO]ACETIC ACID 95.00%
1G
$ 721.57

Total 9 raw suppliers

Chemical Property of [(Pyrrolidin-1-ylcarbonothioyl)thio]acetic acid

Chemical Property:

Vapor Pressure:5.99E-06mmHg at 25°C
Boiling Point:353.6°C at 760 mmHg
Flash Point:167.6°C
PSA：97.93000
Density:1.425g/cm³
LogP:1.12280
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:205.02312094
Heavy Atom Count:12
Complexity:190

Purity/Quality:

98% ^*data from raw suppliers

2-(pyrrolidine-1-carbothioylsulfanyl)aceticAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(C1)C(=S)SCC(=O)O

Technology Process of [(Pyrrolidin-1-ylcarbonothioyl)thio]acetic acid

There total 5 articles about [(Pyrrolidin-1-ylcarbonothioyl)thio]acetic acid 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: 74.0%

: 123-75-1
pyrrolidine

: 75-15-0,12122-00-8
carbon disulfide

: 79-11-8
chloroacetic acid

: 20069-28-7
S-(pyrrolidino-thiocarbonyl)-thioglycolic acid

Guidance literature:: pyrrolidine; carbon disulfide; With potassium hydroxide; In ethanol; water; at 20 ℃; for 1h; Cooling with ice;

chloroacetic acid; With sodium carbonate; In ethanol; water; for 0.12h;
DOI:10.1002/jhet.2072

Reference yield:

: 123-75-1
pyrrolidine

: 75-15-0,12122-00-8
carbon disulfide

: 3926-62-3
sodium monochloroacetic acid

: 20069-28-7
S-(pyrrolidino-thiocarbonyl)-thioglycolic acid

Guidance literature:: With potassium hydroxide; In ethanol; water; at 20 ℃;
DOI:10.1016/j.ejps.2005.02.014

Reference yield:

: 109-01-3
1-methyl-piperazine

: 75-15-0,12122-00-8
carbon disulfide

: 79-11-8
chloroacetic acid

: 20069-28-7
S-(pyrrolidino-thiocarbonyl)-thioglycolic acid

Guidance literature:: 1-methyl-piperazine; carbon disulfide; With potassium hydroxide; In ethanol; water; at 20 ℃; for 1h; Cooling with ice;

chloroacetic acid; With sodium carbonate; In ethanol; water; for 0.12h;

With hydrazine hydrate; potassium hydroxide; for 1h; Reflux;
DOI:10.1002/jhet.2072