Phenethyl isothiocyanate, 97%

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

Phenethyl isothiocyanate, 97% (CAS 2257-09-2) is a chemical reagent available from Chemat. Available pack sizes: 1g, 10g, 25g. Offered by: Thermo Scientific.

• 2D
• 3D

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 formula	C9H9NS
Molecular weight	163.24 g/mol
IUPAC name	2-isothiocyanatoethylbenzene
InChIKey	IZJDOKYDEWTZSO-UHFFFAOYSA-N
SMILES	C1=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