Molecular properties
- Formula
- C4H4S
- Molar mass
- 84.14 g·mol−1
- Exact mass
- 84.0034 Da
- 3
- 0
- 1
- 28.20 Ų
- 1.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 110-02-1
- PubChem CID
- 8030
Molecule record
THIOPHENE
C4H4S
84.14 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alkene
Aromatic ring
Sulfide
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 1.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 110-02-1
- CCRIS 2935
- CP 34
- DTXSID8026145
- Divinylene sulfide
- EINECS 203-729-4
- Furan, thio-
- HSDB 130
Show all 22 synonyms
- Huile H50
- Huile HSO
- NSC 405073
- Thiacyclopentadiene
- Thiaphene
- Thiofen
- Thiofuram
- Thiofuran
- Thiofurfuran
- Thiole
- Thiophen
- Thiotetrole
- UNII-SMB37IQ40B
- USAF EK-1860
Structure identifiers
- Canonical SMILES
- C1=CSC=C1
- Isomeric SMILES
- C1=CSC=C1
- InChI
- InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
- InChIKey
- YTPLMLYBLZKORZ-UHFFFAOYSA-N
- PubChem CID
- 8030
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for THIOPHENE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for THIOPHENE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.