Thiophene, 2-(pentylthio)-
Basic information
- CAS
54798-87-7- Standard SMILES
CCCCCSc1cccs1- InChIKey
PMOLPBAEMHMCKW-UHFFFAOYSA-N- Molecular formula
- C9H14S2
- Average molar mass
- 186.3 g/mol
- Monoisotopic mass
- 186.05369279
Names & identifiers
- Preferred name
- Thiophene, 2-(pentylthio)-
- IUPAC
- 2-pentylsulfanylthiophene
- English name
- 2-(Pentylthio)thiophene
- Molecular formula
- C9H14S2
- Molecular weight
- 186.34
Names & synonyms
Thiophene, 2-(pentylthio)-54798-87-71-(2-Thienyl)-1-thiahexane2-(Pentylthio)-thiopheneDTXSID20341780RefChem:385241DTXCID80292860PMOLPBAEMHMCKW-UHFFFAOYSA-N2-(Pentylthio)thiophene2-pentylsulfanylthiophene2-(Pentylsulfanyl)thiophene2-(Pentylsulfanyl)thiophene #
Show more names
SCHEMBL9724074DB-312904
Database identifiers
- CAS
54798-87-7- PubChem CID
- 575668
- DTXSID
DTXSID20341780- Nikkaji
- J99.545B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 93.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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