Tert-Butyl Isothiocyanate

• Catalog Number: ACM590421
• Product Name: Tert-Butyl Isothiocyanate
• CAS: 590-42-1
• Category: Heterocyclic Organic Compound
• Synonyms: tert-Butyl isothiocyanate, tert.-Butyl Isothiocyanate, T-BUTYLISOTHIOCYANATE, 2-Isothiocyanato-2-methylpropane, Propane, 2-isothiocyanato-2-methyl-, 251852_ALDRICH, EINECS 209-682-6, ZINC02034614, TL80073711, InChI=1/C5H9NS/c1-5(2,3)6-4-7/h1-3H, 590-42-1
• IUPAC Name: 2-isothiocyanato-2-methylpropane
• Molecular Weight: 115.2
• Molecular Formula: C₅H₉NS
• Canonical SMILES: CC(C)(C)N=C=S
• InChI Key: ZFWFRTVIIMTOLY-UHFFFAOYSA-N
• Boiling Point: 141-145ºC
• Melting Point: 41862ºC
• Flash Point: 38.3ºC
• Density: 0.89g/cm³
• Appearance: clear colorless to slightly yellow liquid
• EC Number: 209-682-6
• Exact Mass: 115.04600
• Hazard Statements: T
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Packing Group: II
• Safety Description: S45