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
In the Vinony graph
Vinony's link graph records 26 inbound references to phenyl isothiocyanate, and connects out to isothiocyanate, International Standard Book Number and mass density.
It sits within the topics Chembox having GHS data, Chembox image size set and ECHA InfoCard ID from Wikidata.
Vinony links it to 14 Wikipedia language editions.
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