2-Phenylethyl isothiocyanate

cas: 2257-09-2 — see every product listed under this CAS number, including other names

2-Phenylethyl isothiocyanate (CAS 2257-09-2) is a chemical reagent available from Chemat. Available pack sizes: 1x250mg. Offered by: HPC Standards.

brandHPC Standards
catalog number691536-1x250mg
cas2257-09-2
size1x250mg

Available pack sizes

brand size price
HPC Standards 1x250mg price on request

properties

delivery time2-3 weeks
Structural formula: {0} (CAS {1})

Phenethyl isothiocyanate is an isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. It has a role as a metabolite, an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor and an antineoplastic agent.

Source: ChEBI

Identity
Molecular formulaC9H9NS
Molecular weight163.24 g/mol
IUPAC name2-isothiocyanatoethylbenzene
InChIKeyIZJDOKYDEWTZSO-UHFFFAOYSA-N
SMILESC1=CC=C(C=C1)CCN=C=S

Computed by PubChem (NCBI)

Synonyms: Phenethyl isothiocyanate, 2-Phenylethyl isothiocyanate, Phenylethyl isothiocyanate, (2-Isothiocyanatoethyl)benzene, 2-isothiocyanatoethylbenzene, Benzene, (2-isothiocyanatoethyl)-, PEITC, Phenylaethylsenfoel, PHENETHYLISOTHIOCYANATE, beta-Phenylethyl isothiocyanate
Isomers (same molecular formula)
2-isothiocyanato-1,4-dimethylbenzene C9H9NS
4-isothiocyanato-1,2-dimethylbenzene C9H9NS
1-benzothiophen-5-ylmethanamine C9H9NS
1-benzothiophen-7-ylmethanamine C9H9NS
1-ethyl-3-isothiocyanatobenzene C9H9NS
2-(4-methylsulfanylphenyl)acetonitrile C9H9NS
1-benzothiophen-4-ylmethanamine C9H9NS
4-(methylsulfanylmethyl)benzonitrile C9H9NS
1-ethyl-4-isothiocyanatobenzene C9H9NS
2,5-dimethyl-1,3-benzothiazole C9H9NS
1-isothiocyanato-2,4-dimethylbenzene C9H9NS
[(1R)-1-isothiocyanatoethyl]benzene C9H9NS

Also listed as

2-Phenylethyl isothiocyanate, 98% Combi-blocks CAS 2257-09-2
2-Phenylethyl isothiocyanate 98% Ambeed CAS 2257-09-2
2-Phenylethyl isothiocyanate, 98.04% MedChemExpress CAS 2257-09-2
2-Phenylethyl isothiocyanate (Standard) MedChemExpress CAS 2257-09-2
2-Phenylethyl Isothiocyanate, >97.0%(GC) TCI CAS 2257-09-2
2-Phenylethyl isothiocyanate, min. 95 %, 50 g Roth CAS 2257-09-2
2-Phenylethyl isothiocyanate, min. 95 %, 100 g Roth CAS 2257-09-2
2-Phenylethyl isothiocyanate, min. 95 %, 250 g Roth CAS 2257-09-2
Phenethyl isothiocyanate GLPBio CAS 2257-09-2
Phenethyl isothiocyanate, 97% Thermo Scientific CAS 2257-09-2
Phenylethyl isothiocyanate, 96% Thermo Scientific (Acros) CAS 2257-09-2
PHENETHYL ISOTHIOCYANATE, 99% Sigma-Aldrich CAS 2257-09-2
Ăź-Phenethylisothiocyanate, 98% Fluorochem CAS 2257-09-2