PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Phenethyl isothiocyanate
PCNDIDP0076
Pubchem CID : 16741
Molecular formula: C9H9NS

Molecular weight : 163.240

Canonical SMILES : C1=CC=C(C=C1)CCN=C=S

Synonymes : 2-Phenylethyl isothiocyanate|Phenethyl isothiocyanate|2257-09-2|Phenylethyl isothiocyanate|(2-Isothiocyanatoethyl)benzene|Benzene, (2-isothiocyanatoethyl)-|PEITC|Phenylaethylsenfoel|2-isothiocyanatoethylbenzene|ISOTHIOCYANIC ACID, PHENETHYL ESTER|PHENETHYLISOTHIOCYANATE|phenethyl-isothiocyanate|2-phenethyl isothiocyanate|beta-Phenylethyl isothiocyanate|.beta.-Phenylethyl isothiocyanate|CHEBI:351346|NSC 87868|2-phenylethylisothiocyanate|Phenylaethylsenfoel [German]|6U7TFK75KV|beta-Phenethyl isothiocyanate|CCRIS 3146|CHEMBL151649|.beta.-Phenethyl isothiocyanate|1-Isothiocyanato-2-phenylethane|DTXSID5021120|EINECS 218-855-5|NSC-87868|Isothiocyanic Acid 2-Phenylethyl Ester|JC-5411|BRN 2084162|MFCD00004821|1-ISOTHIOCYANATO-2-PHENYLETHANE (1,1,2,2-D4)|WLN: SCN2R|ss-Phenethyl isothiocyanate|D07AOL|Epitope ID:138724|UNII-6U7TFK75KV|2-phenyl ethyl isothiocyanate|SCHEMBL156960|Phenethyl isothiocyanate, 99%|DTXCID901120|FEMA NO. 4014|IZJDOKYDEWTZSO-UHFFFAOYSA-|(2-Isothiocyanato-ethyl)-benzene|(2-Isothiocyanatoethyl)benzene #|1-(2-isothiocyanatoethyl)benzene|2-Phenylethyl isothiocyanate, FG|HMS1783C17|HMS3870G13|NSC87868|Tox21_200100|(2-Isothiocyanatoethyl)benzene, 9CI|BBL009999|BDBM50240850|JC5411|PHENETHYL ISOTHIOCYANATE [MI]|STK397325|AKOS000119469|DB12695|JC 5411|JC 5411JC-5411|LS-7646|NCGC00248526-01|NCGC00257654-01|PHENYLETHYL ISOTHIOCYANATE [FHFI]|AC-12769|AS-17373|BP-12941|HY-23155|NCI60_041942|CAS-2257-09-2|Isothiocyanic acid .beta.-phenylethyl ester|FT-0604634|P0986|Phenethyl isothiocyanate, analytical standard|EN300-17386|D92051|4-12-00-02476 (Beilstein Handbook Reference)|A816267|J-802164|Q7181339|W-107466|BRD-K56700933-001-02-1|Z56924472|F0001-0795

Structure
3D structure 2D structure
16741
Predicted properties (NCBI Pubchem)

Physicochemical Properties