| 2D Structure | |
| CID | 76922 |
| Target | TRPA1 |
| IUPAC Name | 4-isothiocyanatobut-1-ene |
| InChI | InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2 |
| InChI Key | SKIHGKNFJKJXPX-UHFFFAOYSA-N |
| Canonical SMILES | C=CCCN=C=S |
| Isomeric SMILES | C=CCCN=C=S |
| Molecular Formula | C5H7NS |
| Molecular Weight | 113.18 |
| synonyms | ['3-Butenyl isothiocyanate', '3386-97-8', '4-isothiocyanatobut-1-ene', '1-Butene, 4-isothiocyanato-', 'Isothiocyanic acid, 3-butenyl ester', '4-Isothiocyanato-1-butene', 'UNII-13O98H1EW1', '13O98H1EW1', 'EINECS 222-209-8', '1-Butene 4-isothiocyanate', 'FEMA NO. 4418', 'DTXSID30187494', '3-BUTENYL ISOTHIOCYANATE [FHFI]', 'DTXCID40109985', '222-209-8', 'bylitc', 'skihgknfjkjxpx-uhfffaoysa-n', 'Isothiocyanic Acid 3-Buten-1-yl Ester', '3-Buten-1-yl Isothiocyanate', 'But-3-enyl isothiocyanate', 'CHEMBL3593942', 'Isothiocyanic acid, 3-butenyl ester (6CI,7CI,8CI); 4-Isothiocyanato-1-butene', 'MFCD00191660', '1-Butene-4-isothiocyanate', '4-Isothiocyanato-1-butene #', 'SCHEMBL434534', 'CHEBI:138747', 'BDBM50104735', 'NSC782921', 'AKOS000276673', '4-Isothiocyanato-1-butene, AldrichCPR', 'NSC-782921', 'I0443', 'NS00022069', 'EN300-216195', 'Q27251535', 'Z1255360772'] |
From Pubchem