[(1s)-1-Isothiocyanatoethyl]benzene

Base Information

Chemical Name:[(1s)-1-Isothiocyanatoethyl]benzene
CAS No.:24277-43-8
Molecular Formula:C9H9 N S
Molecular Weight:163.243
Hs Code.:2930909090
European Community (EC) Number:671-297-8
Nikkaji Number:J63.272D
Mol file:24277-43-8.mol

Synonyms:24277-43-8;[(1s)-1-isothiocyanatoethyl]benzene;(S)-(+)-1-Phenylethyl isothiocyanate;L-A-Methylbenzyl isothiocyanate;L-alpha-Methylbenzyl isothiocyanate;(S)-(+)-alpha-Methylbenzyl isothiocyanate;(S)-1-Phenylethyl isothiocyanate;SCHEMBL3792824;(S)-1-Phenylethylisothiocyanate;(s)-(-)-phenylethyl isothiocyanate;MFCD02093279;AKOS037652944;AT27180;FS-5267;(S)-(+)-a-Methylbenzyl isothiocyanate;(S)-(+)- alpha -Methylbenzyl isothiocyanate;EN300-6768736;A817188;J-015430;Z1201621574;L-| inverted exclamation mark-METHYLBENZYL ISOTHIOCYANATE;(S)-(+)-alpha-Methylbenzyl isothiocyanate, for chiral derivatization, >=99.0%

Suppliers and Price of [(1s)-1-Isothiocyanatoethyl]benzene

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
L-α-MethylbenzylIsothiocyanate
50mg
$ 45.00

SynQuest Laboratories
L-alpha-Methylbenzyl isothiocyanate 98%
250 mg
$ 45.00

SynQuest Laboratories
L-alpha-Methylbenzyl isothiocyanate 98%
1 g
$ 92.00

Sigma-Aldrich
(S)-(+)-α-Methylbenzyl isothiocyanate for chiral derivatization, LiChropur?, ≥99.0%
1g-f
$ 106.00

American Custom Chemicals Corporation
L-ALPHA-METHYLBENZYL ISOTHIOCYANATE 95.00%
5G
$ 982.33

American Custom Chemicals Corporation
L-ALPHA-METHYLBENZYL ISOTHIOCYANATE 95.00%
1G
$ 654.89

Alfa Aesar
(S)-(+)-1-Phenylethyl isothiocyanate, 97%
1g
$ 73.50

Total 20 raw suppliers

Chemical Property of [(1s)-1-Isothiocyanatoethyl]benzene

Chemical Property:

Vapor Pressure:0.0427mmHg at 25°C
Refractive Index:1.5810
Boiling Point:246.4°Cat760mmHg
Flash Point:102.3°C
PSA：44.45000
Density:1.01g/cm³
LogP:2.85040
Storage Temp.:2-8°C
Sensitive.:Moisture Sensitive
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:163.04557046
Heavy Atom Count:11
Complexity:155

Purity/Quality:

97% ^*data from raw suppliers

L-α-MethylbenzylIsothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 20/21/22-36/37/38-34
Safety Statements: 26-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=CC=C1)N=C=S
Isomeric SMILES:C[C@@H](C1=CC=CC=C1)N=C=S

Technology Process of [(1s)-1-Isothiocyanatoethyl]benzene

There total 39 articles about [(1s)-1-Isothiocyanatoethyl]benzene 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: 99.0%

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

: 618-36-0
rac-methylbenzylamine

: 24277-44-9,32393-32-1,24277-43-8,4478-92-6
(1-isothiocyanato-ethyl)-benzene

Guidance literature:: carbon disulfide; rac-methylbenzylamine; With potassium carbonate; In water; at 20 ℃; for 1h; Inert atmosphere;

With 1,3,5-trichloro-2,4,6-triazine; In dichloromethane; water; at 0 ℃; for 0.5h; Inert atmosphere;

With sodium hydroxide; In dichloromethane; water; pH=11; Inert atmosphere;
DOI:10.3762/bjoc.8.6