| 2D Structure | |
| CID | 16741 |
| Target | / |
| IUPAC Name | 2-isothiocyanatoethylbenzene |
| InChI | InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 |
| InChI Key | IZJDOKYDEWTZSO-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)CCN=C=S |
| Isomeric SMILES | C1=CC=C(C=C1)CCN=C=S |
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.24 |
| synonyms | ['2-Phenylethyl isothiocyanate', 'Phenethyl isothiocyanate', '2257-09-2', 'Phenylethyl isothiocyanate', '(2-Isothiocyanatoethyl)benzene', 'Benzene, (2-isothiocyanatoethyl)-', 'PEITC', 'Phenylaethylsenfoel', 'PHENETHYLISOTHIOCYANATE', 'ISOTHIOCYANIC ACID, PHENETHYL ESTER', '2-phenethyl isothiocyanate', 'beta-Phenylethyl isothiocyanate', '.beta.-Phenylethyl isothiocyanate', 'CHEBI:351346', '6U7TFK75KV', 'beta-Phenethyl isothiocyanate', 'Phenylaethylsenfoel [German]', 'NSC 87868', 'CCRIS 3146', 'DTXSID5021120', 'EINECS 218-855-5', 'NSC-87868', 'BRN 2084162', 'DTXCID901120', 'FEMA NO. 4014', 'NSC87868', 'PHENETHYL ISOTHIOCYANATE [MI]', 'PHENYLETHYL ISOTHIOCYANATE [FHFI]', '4-12-00-02476 (Beilstein Handbook Reference)', '2Phenylethyl isothiocyanate', 'betaPhenethyl isothiocyanate', 'betaPhenylethyl isothiocyanate', '(2Isothiocyanatoethyl)benzene', 'Benzene, (2isothiocyanatoethyl)', '218-855-5', '130638', '2-isothiocyanatoethylbenzene', 'phenethyl-isothiocyanate', 'MFCD00004821', 'CHEMBL151649', '.beta.-Phenethyl isothiocyanate', '1-Isothiocyanato-2-phenylethane', 'Isothiocyanic Acid 2-Phenylethyl Ester', '2-phenylethylisothiocyanate', '1-ISOTHIOCYANATO-2-PHENYLETHANE (1,1,2,2-D4)', '2-Phenylethyl Isothiocyanate; (2-Isothiocyanatoethyl)benzene; Phenethyl Mustard Oil;', 'WLN: SCN2R', 'ss-Phenethyl isothiocyanate', 'Epitope ID:138724', 'UNII-6U7TFK75KV', 'SCHEMBL156960', 'Phenethyl isothiocyanate, 99%', 'IZJDOKYDEWTZSO-UHFFFAOYSA-', '(2-Isothiocyanato-ethyl)-benzene', '(2-Isothiocyanatoethyl)benzene #', '1-(2-isothiocyanatoethyl)benzene', '2-Phenylethyl isothiocyanate, FG', 'HMS1783C17', 'HMS3870G13', 'Tox21_200100', '(2-Isothiocyanatoethyl)benzene, 9CI', 'BBL009999', 'BDBM50240850', 'STK397325', 'AKOS000119469', 'DB12695', 'FP08224', 'JC-5411', 'NCGC00248526-01', 'NCGC00257654-01', 'AC-12769', 'AS-17373', 'BP-12941', 'DA-66670', 'HY-23155', 'NCI60_041942', 'CAS-2257-09-2', 'DB-045947', 'Isothiocyanic acid .beta.-phenylethyl ester', 'NS00013118', 'P0986', 'Phenethyl isothiocyanate, analytical standard', 'EN300-17386', 'D92051', 'Q7181339', 'BRD-K56700933-001-02-1', 'BRD-K56700933-001-03-9', 'Phenethyl isothiocyanate; 2-Phenylethyl isothiocyanate', 'Z56924472', 'F0001-0795', 'InChI=1/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2'] |
From Pubchem