Molecular properties
- Formula
- C3H5NS
- Molar mass
- 87.15 g·mol−1
- Exact mass
- 87.0143 Da
- 2
- PubChem CID
- 10966
Molecule record
isothiocyanatoethane
C3H5NS
87.15 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Isothiocyanatoethane #
- 208-831-2
- 3284MJ2T8P
- 542-85-8
- AI3-18428
- CCRIS 7323
- CHEBI:85098
- DTXCID6041632
Show all 24 synonyms
- DTXSID2060258
- EINECS 208-831-2
- ETHYLISOTHIOCYANATE
- Epitope ID:243753
- Ethane, isothiocyanato-
- Ethyl isothiocyanate
- Ethyl isothiocyanate, 97%
- FEMA NO. 4420
- Isothiocyanic Acid, Ethyl Ester; Isothiocyanatoethane; 1-Isothiocyanatoethane;
- Isothiocyanic acid, ethyl ester
- MFCD00004820
- NSC-84212
- RefChem:138969
- UNII-3284MJ2T8P
- ethylisothio-cyanate
- isothiocyanato-ethane
Structure identifiers
- Canonical SMILES
- CCN=C=S
- Isomeric SMILES
- CCN=C=S
- InChI
- InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
- InChIKey
- HBNYJWAFDZLWRS-UHFFFAOYSA-N
- PubChem CID
- 10966
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 isothiocyanatoethane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for isothiocyanatoethane; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.