| 2D Structure | |
| CID | 78120 |
| Target | / |
| IUPAC Name | 1-isothiocyanatohexane |
| InChI | InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3 |
| InChI Key | WXYAXKKXIGHXDS-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCN=C=S |
| Isomeric SMILES | CCCCCCN=C=S |
| Molecular Formula | C7H13NS |
| Molecular Weight | 143.25 |
| synonyms | ['Hexyl isothiocyanate', '1-Isothiocyanatohexane', '1-Hexyl isothiocyanate', 'Hexane, 1-isothiocyanato-', 'Isothiocyanic acid, hexyl ester', 'CCRIS 7549', '1-Isothiocyanato-hexane', 'UNII-2S7C3GA0Z5', '2S7C3GA0Z5', 'EINECS 224-549-2', 'FEMA NO. 4422', 'HEXYL ISOTHIOCYANATE, 1-', 'DTXSID50196023', 'HEXYL ISOTHIOCYANATE [FHFI]', 'DTXCID60118514', 'wxyaxkkxighxds-uhfffaoysa-n', '4404-45-9', 'n-Hexyl isothiocyanate', 'Hexylisothiocyanate', 'MFCD00014445', 'n-hexylisothiocyanate', '1-Isothiocyanatohexane #', 'Hexyl isothiocyanate, 95%', 'SCHEMBL331230', 'CHEMBL298717', 'AKOS001044539', 'FS-3912', 'DB-051186', 'NS00031384', 'EN300-17186', 'D95721', 'Q27255537', 'Z56899052'] |
From Pubchem