4-Ethylthiane

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Basic information

CAS: 40324-31-0
Standard SMILES: CCC1CCSCC1
InChIKey: DZXVHXPCUHPSMD-UHFFFAOYSA-N
Molecular formula: C7H14S
Average molar mass: 130.25 g/mol
Monoisotopic mass: 130.08162162

Names & identifiers

Preferred name: 4-Ethylthiane
IUPAC: 4-ethylthiane

Names & synonyms

4-Ethylthiane4-Ethyltetrahydro-2H-thiopyran4-Ethylthiacyclohexane4-Ethyl-thiacyclohexaneSCHEMBL178290SCHEMBL1747684SCHEMBL2981638SCHEMBL4322004DZXVHXPCUHPSMD-UHFFFAOYSA-NDTXSID70135061740324-31-0

Database identifiers

CAS: 40324-31-0
PubChem CID: 575326
DTXSID: DTXSID701350617

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 55.4

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Compound notes

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