| 2D Structure | |
| CID | 2346 |
| Target | / |
| IUPAC Name | isothiocyanatomethylbenzene |
| InChI | InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChI Key | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)CN=C=S |
| Isomeric SMILES | C1=CC=C(C=C1)CN=C=S |
| Molecular Formula | C8H7NS |
| Molecular Weight | 149.21 |
| synonyms | ['benzyl isothiocyanate', '622-78-6', 'Benzylisothiocyanate', '(Isothiocyanatomethyl)benzene', 'Benzylsenfoel', 'Tromacaps', 'Tromalyt', 'Urogran', 'Isothiocyanic acid, benzyl ester', 'Benzyl-isothiocyanate', 'isothiocyanatomethylbenzene', 'alpha-isothiocyanatotoluene', 'phenylmethyl isothiocyanate', 'PMITC cpd', 'Toluene, alpha-isothiocyanato-', 'CCRIS 3145', 'NSC 118976', 'Isothiocyanatomethyl)benzene', 'EINECS 210-753-9', 'UNII-871J6YOR8Q', 'BRN 0386135', '1-(isothiocyanatomethyl)benzene', '871J6YOR8Q', 'AB 2', 'DTXSID0020155', 'CHEBI:17484', 'AI3-02736', 'NSC118976', 'NSC-118976', 'DTXCID60155', 'FEMA NO. 4428', '4-12-00-02276 (Beilstein Handbook Reference)', 'BENZYL ISOTHIOCYANATE (MART.)', 'BENZYL ISOTHIOCYANATE [MART.]', '210-753-9', 'Benzene, (isothiocyanatomethyl)-', 'Isothiocyanic Acid Benzyl Ester', 'Isothiocyanotaomethylbenzene', 'BITC', 'MFCD00004819', 'Benzylsenfoel [German]', 'AB 2 (VAN)', 'isothiocyanatomethyl-benzene', '(isothiocyanatomethyl)-benzene', 'CHEMBL55285', 'Toluene, .alpha.-isothiocyanato-', 'Benzylsenfoel (german)', 'SR-05000002381', 'Tromocaps', 'benzene isothiocyanate', 'Benzyl isothio cyanate', 'Spectrum_001820', 'SpecPlus_000684', 'Tromalyt active substance', 'Spectrum2_000852', 'Spectrum3_000793', 'Spectrum4_001059', 'Spectrum5_001837', 'WLN: SCN1R', 'NCIMech_000859', 'alpha-Isothiocyanato-Toluene', 'isothiocyanato-methyl-benzene', 'Benzyl isothiocyanate, 98%', 'SCHEMBL44145', 'BSPBio_002526', 'KBioGR_001358', 'KBioSS_002323', 'DivK1c_006780', 'SPECTRUM1503006', 'SPBio_000863', '(Isothiocyanatomethyl)benzene #', 'BITC, 17', 'Toluene, alpha -isothiocyanato-', 'KBio1_001724', 'KBio2_002321', 'KBio2_004889', 'KBio2_007457', 'KBio3_001746', 'Benzyl isothiocyanate, 98%, FG', 'HMS1921P18', 'Pharmakon1600-01503006', '(Isothiocyanatomethyl)benzene, 9CI', 'BENZYL ISOTHIOCYANATE [FHFI]', 'Tox21_201191', 'BBL013129', 'BDBM50240520', 'BENZYLISOTHIOCYANATE [WHO-DD]', 'CCG-35868', 'NSC758206', 's4783', 'STK399787', 'AKOS000212138', 'NSC-758206', 'PB43176', 'SDCCGMLS-0066697.P001', 'QTL1_000013', 'NCGC00094982-01', 'NCGC00094982-02', 'NCGC00094982-03', 'NCGC00094982-04', 'NCGC00258743-01', 'Benzyl isothiocyanate, analytical standard', 'BP-12924', 'CAS-622-78-6', 'HY-77813', 'NCI60_000455', 'PS-10308', 'SY010809', 'SBI-0052749.P002', 'DB-022613', 'CS-0006958', 'I0224', 'NS00011736', 'EN300-17059', 'C03098', 'F16583', 'AB00053249_03', 'SR-05000002381-1', 'SR-05000002381-2', 'BRD-K80253852-001-04-4', 'Q18341725', 'Z56869309', 'F0001-1663'] |
From Pubchem