Basic information
- Standard SMILES
C1=CSCC1- InChIKey
OXBLVCZKDOZZOJ-UHFFFAOYSA-N- Molecular formula
- C4H6S
- Average molar mass
- 86.16 g/mol
- Monoisotopic mass
- 86.01902119
Overview
2,3-Dihydrothiophene is an organosulfur heterocyclic compound.
Names & identifiers
- Preferred name
- 2,3-Dihydrothiophene
- IUPAC
- 2,3-dihydrothiophene
- English name
- 2,3-Dihydrothiophene
- Molecular formula
- C4H6S
- Molecular weight
- 86.16
Names & synonyms
2,3-DihydrothiopheneThiophene, 2,3-dihydro-DTXSID20149809RefChem:81743DTXCID0072300OXBLVCZKDOZZOJ-UHFFFAOYSA-N1120-59-8dihydrothiophenethiol-ene2-thiole2,3-dihydro-thiophene9WWU9T5GZH
Show more names
SCHEMBL3060Dihydro-2-(3H)-thiopheneSCHEMBL22953SCHEMBL22954SCHEMBL37711SCHEMBL234524SCHEMBL236644SCHEMBL5224585
Database identifiers
- CAS
1120-59-8- PubChem CID
- 136880
- DTXSID
DTXSID20149809- ChEBI
CHEBI:178613- UNII
- 9WWU9T5GZH
- Nikkaji
- J562B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 47.6
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- -110.2 °C · -110.2 °C
- Boiling point
- 112.1 °C · 112.1°C
- Density
- 0.972 · 0.972 (estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- Specific Heat Capacity
- 0.93 J/ · Cp(gas): 0.93 J/(g·K), at 25℃
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
Additional notes
DefinitionChEBI: 2,3-Dihydrothiophene is an organosulfur heterocyclic compound.
Related reactions
2 records
Linked notes
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