Structure via PubChem · Public domain (PubChem)
phenyl isothiocyanate
Sign in to saveAlso known as Benzene-1-isothiocyanate, Isothiocyanic acid phenyl ester, Phenyl mustard oil, PITC
chemical compound
Chemical data
- Formula
- C7H5NS
- Molecular weight
- 135.19 g/mol
- IUPAC name
- isothiocyanatobenzene
- SMILES
- C1=CC=C(C=C1)N=C=S
- InChIKey
- QKFJKGMPGYROCL-UHFFFAOYSA-N
- XLogP
- 3.3
- Polar surface area
- 44.5 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 135.014
Show 4 more facts
- melting point
- -21
- chemical formula
- C₇H₅NS
- canonical SMILES
- C1=CC=C(C=C1)N=C=S
- Commons category
- Phenyl isothiocyanate
via Wikidata · CC0