| 2D Structure | |
| CID | 5971 |
| Target | / |
| IUPAC Name | 3-isothiocyanatoprop-1-ene |
| InChI | InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| InChI Key | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| Canonical SMILES | C=CCN=C=S |
| Isomeric SMILES | C=CCN=C=S |
| Molecular Formula | C4H5NS |
| Molecular Weight | 99.16 |
| synonyms | ['ALLYL ISOTHIOCYANATE', '57-06-7', '3-isothiocyanatoprop-1-ene', 'Redskin', 'Allylsenevol', 'Allylsenfoel', 'Oleum sinapis', 'Allylsevenolum', 'Senfoel', 'Allyl isosulfocyanate', 'Allyspol', 'Carbospol', '1-Propene, 3-isothiocyanato-', '3-Isothiocyanato-1-propene', 'Senf oel', '2-Propenyl isothiocyanate', 'Oleum sinapis volatile', "Isothiocyanate d'allyle", 'Allyl sevenolum', 'Allyspol 75EC', 'Allyl thioisocyanate', 'Isothiocyanic acid allyl ester', 'Allyl isosulphocyanate', 'FEMA No. 2034', 'Isothiocyansaeureallylester', 'Senf oel [German]', 'Allylsenfoel [German]', 'NCI-C50464', 'Isothiocyanic acid, allyl ester', 'Allyl isothiocyanate [USAN]', 'Allyl isothiocyanate, stabilized', "Isothiocyanate d'allyle [French]", 'NSC-5572', 'Propene, 3-isothiocyanato-', 'UN1545', '3-iso-Thiocyanatoprop-1-ene', 'BN34FX42G3', 'DTXSID3020047', 'CHEBI:73224', 'DTXCID8047', 'ALLYL ISOTHIOCYANATE [MI]', 'NSC5572', 'ALLYL ISOTHIOCYANATE [FCC]', 'ALLYL ISOTHIOCYANATE [FHFI]', 'ALLYL ISOTHIOCYANATE [HSDB]', 'ALLYL ISOTHIOCYANATE [IARC]', 'ALLYL ISOTHIOCYANATE [MART.]', 'ALLYL ISOTHIOCYANATE [WHO-DD]', 'ISOTHIOCYANIC ACID,ALLYL ESTER', 'ALLYL ISOTHIOCYANATE [USP MONOGRAPH]', 'SENF OEL (GERMAN)', 'ALLYLSENFOEL (GERMAN)', 'ALLYL ISOTHIOCYANATE (IARC)', 'ALLYL ISOTHIOCYANATE (MART.)', 'allyl isorhodanide', "ISOTHIOCYANATE D'ALLYLE (FRENCH)", 'ALLYL ISOTHIOCYANATE, (STABILIZED)', 'ALLYL ISOTHIOCYANATE, [STABILIZED]', 'allyl thiocarbonimide', 'ALLYL ISOTHIOCYANATE (USP MONOGRAPH)', 'FEMA No. 2760', 'Mustard, brown (Brassica spp.)', '3-isothiocyanatopropene', 'Mustard, yellow (Brassica spp.)', 'EINECS 232-358-0', 'Allyl senevolum', '3Isothiocyanato1propene', '2Propenyl isothiocyanate', 'Allyl isothiocyanic acid', 'TYY1MA9BSY', '1Propene, 3isothiocyanato', 'MUSTARD OIL [FCC]', 'MUSTARD OIL [VANDF]', 'DTXSID3044176', 'Allyl isothiocyanate, nonperfume grade', 'USEPA/OPP Pesticide Code: 004901', '200-309-2', 'inchi=1/c4h5ns/c1-2-3-5-4-6/h2h,1,3h', 'AITC', 'ALLYLISOTHIOCYANATE', 'Caswell No. 027', 'Allylisothiokyanat [Czech]', 'Allyl isothiocyanate (natural)', 'NSC 5572', 'Allyl isothiocyanate, non-perfume grade', 'Allyl isothiocyanate (USP)', 'CHEMBL233248', 'Fats and Glyceridicoils, mustard', 'NCGC00091743-01', 'FEMA Number 2034', 'Allylisothiokyanat', 'CAS-57-06-7', 'CCRIS 20', 'HSDB 617', 'EINECS 200-309-2', 'MFCD00004822', 'EPA Pesticide Chemical Code 004901', 'BRN 0773748', 'UNII-BN34FX42G3', 'AI3-15283', 'Allyl isothiocyanate [USAN:USP]', 'mustard seed oleoresin', '3-isothiocyanato-propene', 'Allyl isothiocyanate, 97%', 'WLN: SCN2U1', '3-isothiocyanato-prop-1-ene', 'Potassium allyl isothiocyanate', 'GTPL2420', 'GLXC-20576', 'HMS3264D06', 'Pharmakon1600-01506103', 'Tox21_111165', 'Tox21_202249', 'Tox21_302890', 'Allyl isothiocyanate, >=95%, FCC', 'BDBM50203072', 'MSK010007', 'NSC760137', 'STL194262', 'Allyl isothiocyanate non-perfume grade', 'AKOS000119301', 'CCG-213613', 'NSC-760137', 'NCGC00091743-02', 'NCGC00256536-01', 'NCGC00259798-01', 'BP-12926', 'Allyl isothiocyanate, purum, >=98% (GC)', 'DB-022435', 'Potassium, (1-isothiocyanato-2-propenyl)-', 'I0185', 'NS00007069', 'EN300-19008', 'C19317', 'D02818', 'G84101', 'AB01563144_01', 'Q419406', 'Allyl isothiocyanate 100 microg/mL in Acetonitrile', 'Allyl isothiocyanate, stabilized (0.1% tocopherols)', 'Allyl isothiocyanate, contains BHT as stabilizer, 95%', 'Allyl isothiocyanate, stabilized [UN1545] [Poison]', 'BRD-K33219225-001-01-9', 'Z104472178', 'Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized'] |
From Pubchem