Molecular properties
- Formula
- C7H5NS
- Molar mass
- 135.19 g·mol−1
- Exact mass
- 135.0143 Da
- 6
- PubChem CID
- 7673
Molecule record
isothiocyanatobenzene
C7H5NS
135.19 g/mol
Loading structure
Functional groups
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 0D58F84LSU
- 103-72-0
- 203-138-1
- Benzene, isothiocyanato-
- Benzene-1-isothiocyanate
- CHEBI:85103
- DTXCID501129
- DTXSID0021129
Show all 24 synonyms
- Fenylisothiokyanat
- Isothiocyanato-benzene
- Isothiocyanic acid phenyl ester
- MFCD00004798
- NSC-5583
- PHENYL ISOTHIOCYANATE
- PITC
- Phenyl thiocyanate
- Phenyl thioisocyanate
- Phenylisothiocyanate
- Phenylisothiocyanate 1533
- Phenylisothiocyanate Phenolic
- Phenylsenfoel
- RefChem:57537
- Thiocarbanil
- USAF M-4
Structure identifiers
- Canonical SMILES
- S=C=Nc1ccccc1
- Isomeric SMILES
- C1=CC=C(C=C1)N=C=S
- InChI
- InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
- InChIKey
- QKFJKGMPGYROCL-UHFFFAOYSA-N
- PubChem CID
- 7673
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for isothiocyanatobenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for isothiocyanatobenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.