Iberin

Base Information

Chemical Name:Iberin
CAS No.:505-44-2
Molecular Formula:C₅H₉NOS₂
Molecular Weight:163.265
Hs Code.:
European Community (EC) Number:852-635-5
NSC Number:321801
UNII:RZ680L4LP3
DSSTox Substance ID:DTXSID301339465
Nikkaji Number:J94.647H
Wikidata:Q27161686
Metabolomics Workbench ID:38819
ChEMBL ID:CHEMBL4067519
Mol file:505-44-2.mol

Synonyms:1-isothiocyanato-3-(methylsulfinyl)propane;1-isothiocyanato-3-(methylsulphinyl)propane;iberin;IMSP

Suppliers and Price of Iberin

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
Iberin
25mg
$ 330.00

DC Chemicals
Iberin >98%
1 g
$ 2200.00

DC Chemicals
Iberin >98%
250 mg
$ 1100.00

DC Chemicals
Iberin >98%
100 mg
$ 550.00

Cayman Chemical
Iberin ≥97%
10mg
$ 163.00

Cayman Chemical
Iberin ≥97%
5mg
$ 108.00

Cayman Chemical
Iberin ≥97%
1mg
$ 28.00

ApexBio Technology
Iberin
10mg (solution)
$ 208.00

ApexBio Technology
Iberin
5mg (solution)
$ 139.00

American Custom Chemicals Corporation
1-ISOTHIOCYANATO-3-(METHYLSULFINYL)PROPANE 95.00%
5MG
$ 500.34

Total 12 raw suppliers

Chemical Property of Iberin

Chemical Property:

Vapor Pressure:4.03E-05mmHg at 25°C
Refractive Index:1.5237 (estimate)
Boiling Point:362.4 °C at 760 mmHg
Flash Point:173 °C
PSA：80.73000
Density:1.21 g/cm³
LogP:1.72350
Storage Temp.:Hygroscopic, Refrigerator, under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:163.01255626
Heavy Atom Count:9
Complexity:140

Purity/Quality:

99%, ^*data from raw suppliers

Iberin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CS(=O)CCCN=C=S
Uses Iberin is a natural isothiocyanate found in cruciferous plants. Iberin is know to exhibit anticancer efficacy mediated via induction of cell cycle arrest and apoptosis in human neuroblastoma cells and has strong potential for development as a therapeutic agent against cancer. Iberin is a natural isothiocyanate found in cruciferous plants. Iberin is know to exhibit anticancer efficacy mediated via induction of cell cycle arrest and apoptosis in human neuroblastoma cells and has strong potential for development as a therapeutic agent against cancer.

Technology Process of Iberin

There total 4 articles about Iberin 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: 50.0%

: 463-71-8
thiophosgene

: 196200-06-3
3-(methylsufinyl)propan-1-amine

: 505-44-2,37791-20-1,84104-27-8
iberin

Guidance literature:: With sodium hydroxide; In chloroform; at 20 ℃; for 1h;
DOI:10.1021/jf1003573

Reference yield:

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

: 15813-61-3
(R)-3-methanesulfinyl-propylamine

: 505-44-2,37791-20-1,84104-27-8
iberin

Guidance literature:: With ethanol; at 0 ℃; Behandeln einer Loesung des Reaktionsprodukts in Methanol mit Jod und methanol.Natriummethylat-Loesung;
DOI:10.1002/hlca.19500330516