3-Butenyl isothiocyanate

Base Information

Chemical Name:3-Butenyl isothiocyanate
CAS No.:3386-97-8
Molecular Formula:C5H7NS
Molecular Weight:113.183
Hs Code.:2930909090
European Community (EC) Number:222-209-8
UNII:13O98H1EW1
DSSTox Substance ID:DTXSID30187494
Nikkaji Number:J45.898H
Wikidata:Q27251535
Pharos Ligand ID:X6YLZW8PZX9G
Metabolomics Workbench ID:46250
ChEMBL ID:CHEMBL3593942
Mol file:3386-97-8.mol

Synonyms:3-Butenyl isothiocyanate;3386-97-8;4-isothiocyanatobut-1-ene;Isothiocyanic Acid 3-Buten-1-yl Ester;1-Butene, 4-isothiocyanato-;3-Buten-1-yl Isothiocyanate;Isothiocyanic acid, 3-butenyl ester;4-Isothiocyanato-1-butene;But-3-enyl isothiocyanate;UNII-13O98H1EW1;CHEMBL3593942;13O98H1EW1;EINECS 222-209-8;1-Butene 4-isothiocyanate;1-Butene-4-isothiocyanate;4-Isothiocyanato-1-butene #;SCHEMBL434534;FEMA NO. 4418;DTXSID30187494;CHEBI:138747;BDBM50104735;MFCD00191660;NSC782921;AKOS000276673;4-Isothiocyanato-1-butene, AldrichCPR;NSC-782921;3-BUTENYL ISOTHIOCYANATE [FHFI];I0443;EN300-216195;J-019350;Q27251535;Z1255360772

Suppliers and Price of 3-Butenyl isothiocyanate

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
3-Butenylisothiocyanate
100mg
$ 135.00

TRC
3-Butenylisothiocyanate
50mg
$ 75.00

TRC
3-Butenylisothiocyanate
250mg
$ 300.00

TCI Chemical
3-Buten-1-yl Isothiocyanate >96.0%(GC)
1g
$ 393.00

SynQuest Laboratories
Isothiocyanicacid3-buten-1-ylester 95%
250 mg
$ 240.00

SynQuest Laboratories
Isothiocyanicacid3-buten-1-ylester 95%
1 g
$ 632.00

American Custom Chemicals Corporation
3-BUTENYL ISOTHIOCYANATE 95.00%
1G
$ 823.46

AK Scientific
Isothiocyanicacid3-buten-1-ylester
5g
$ 1331.00

Total 41 raw suppliers

Chemical Property of 3-Butenyl isothiocyanate

Chemical Property:

Vapor Pressure:2.72mmHg at 25°C
Refractive Index:1.5210 to 1.5240
Boiling Point:163.3°Cat760mmHg
Flash Point:44.2°C
PSA：44.45000
Density:0.9g/cm³
LogP:1.66530
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:113.02992040
Heavy Atom Count:7
Complexity:92.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Butenylisothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCCN=C=S

Technology Process of 3-Butenyl isothiocyanate

There total 9 articles about 3-Butenyl isothiocyanate 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:

: 3952-98-5
sinigrin

: potassium 3-butenylglucosinolate

: 54096-45-6,76786-81-7
4,5-epithiopentanenitrile

: 764-49-8
allyl thiocyanate

: 3386-97-8
4-isothiocyanato-1-butene

: 58130-93-1
2-(thiiran-2-yl)acetonitrile

: 57-06-7,58391-87-0
N-allyl isothiocyanate

Guidance literature:: With Crambe abessynica var. Prophet seed flour; Mechanism; Product distribution; var. educt ratio;
DOI:10.1016/S0031-9422(00)86982-4