3-Ethylthiane

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Basic information

CAS: 61568-48-7
Standard SMILES: CCC1CCCSC1
InChIKey: CIMHGPVZHGEPEP-UHFFFAOYSA-N
Molecular formula: C7H14S
Average molar mass: 130.25 g/mol
Monoisotopic mass: 130.08162162

Names & identifiers

Preferred name: 3-Ethylthiane
IUPAC: 3-ethylthiane

Names & synonyms

3-Ethylthiane3-Ethyltetrahydro-2H-thiopyran61568-48-73-Ethyl-thiacyclohexaneDTXSID40340851RefChem:279293DTXCID60291932CIMHGPVZHGEPEP-UHFFFAOYSA-N3-EthylthiacyclohexaneSCHEMBL10541135SCHEMBL14753728

Database identifiers

CAS: 61568-48-7
PubChem CID: 568097
DTXSID: DTXSID40340851
Nikkaji: J1.245.830D

Properties

Computed structural properties

XLogP: 2.5
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: 61.4

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Compound notes

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